diff --git a/.pre-commit-config.yaml b/.pre-commit-config.yaml index 62f08e3e08f..bba0fa50a46 100644 --- a/.pre-commit-config.yaml +++ b/.pre-commit-config.yaml @@ -33,6 +33,7 @@ repos: stages: [ commit, commit-msg ] exclude_types: [ html ] additional_dependencies: [ tomli ] # needed to read pyproject.toml below py3.11 + exclude: src/pymatgen/analysis/aflow_prototypes.json - repo: https://github.com/MarcoGorelli/cython-lint rev: v0.16.2 diff --git a/dev_scripts/update_spacegroup_data.py b/dev_scripts/update_spacegroup_data.py new file mode 100644 index 00000000000..a4607cdbee7 --- /dev/null +++ b/dev_scripts/update_spacegroup_data.py @@ -0,0 +1,95 @@ +"""Script to update symm_ops.json and symm_data.yaml in symmetry module due to issues #3845 and #3862. +symm_ops.json: +- adds Hermann_mauguin point group key and short Hermann Mauguin space group symbol +- converts screw axis notation to symm_data standard +symm_data.json +- removes mapping of rhombohedral space group types onto symbol + appended H +- replaces I/P2_12_121 key with I/P2_12_12_1 +""" + +from __future__ import annotations + +import sys + +from monty.serialization import dumpfn, loadfn +from pymatgen.symmetry.groups import PointGroup + +__author__ = "Katharina Ueltzen @kaueltzen" +__date__ = "2024-06-06" + +SYMM_OPS = loadfn("../src/pymatgen/symmetry/symm_ops.json") +SYMM_DATA = loadfn("../src/pymatgen/symmetry/symm_data.json") + + +def convert_symmops_to_sg_encoding(symbol: str) -> str: + """ + Utility function to convert SYMMOPS space group type symbol notation + into SYMM_DATA["space_group_encoding"] key notation with underscores before + translational part of screw axes. + Args: + symbol (str): "hermann_mauguin" or "universal_h_m" key of symmops.json + Returns: + symbol in the format of SYMM_DATA["space_group_encoding"] keys + """ + symbol_representation = symbol.split(":") + representation = ":" + "".join(symbol_representation[1].split(" ")) if len(symbol_representation) > 1 else "" + + blickrichtungen = symbol_representation[0].split(" ") + blickrichtungen_new = [] + for br in blickrichtungen: + if len(br) > 1 and br[0].isdigit() and br[1].isdigit(): + blickrichtungen_new.append(br[0] + "_" + br[1:]) + else: + blickrichtungen_new.append(br) + return "".join(blickrichtungen_new) + representation + + +def remove_identity_from_full_hermann_mauguin(symbol: str) -> str: + """ + Utility function to remove identity along blickrichtung (except in P1). + Args: + symbol (str): "hermann_mauguin" key of symmops.json + Returns: + short "hermann_mauguin" key + """ + if symbol in ("P 1", "C 1", "P 1 "): + return symbol + blickrichtungen = symbol.split(" ") + blickrichtungen_new = [] + for br in blickrichtungen: + if br != "1": + blickrichtungen_new.append(br + " ") + return "".join(blickrichtungen_new) + + +new_symm_data = {} +for k, v in SYMM_DATA["space_group_encoding"].items(): + if k.endswith("H"): + new_symm_data[k.removesuffix("H")] = v + elif k == "I2_12_121": + new_symm_data["I2_12_12_1"] = v + elif k == "P2_12_121": + new_symm_data["P2_12_12_1"] = v + else: + new_symm_data[k] = v + +SYMM_DATA["space_group_encoding"] = new_symm_data + +for spg_idx, spg in enumerate(SYMM_OPS): + if "(" in spg["hermann_mauguin"]: + SYMM_OPS[spg_idx]["hermann_mauguin"] = spg["hermann_mauguin"].split("(")[0] + + short_h_m = remove_identity_from_full_hermann_mauguin(SYMM_OPS[spg_idx]["hermann_mauguin"]) + SYMM_OPS[spg_idx]["short_h_m"] = convert_symmops_to_sg_encoding(short_h_m) + SYMM_OPS[spg_idx]["hermann_mauguin_u"] = convert_symmops_to_sg_encoding(spg["hermann_mauguin"]) + +for spg_idx, spg in enumerate(SYMM_OPS): + try: + pg = PointGroup.from_space_group(spg["short_h_m"]) + except AssertionError as e: + print(spg, str(e)) + sys.exit(1) + SYMM_OPS[spg_idx]["point_group"] = pg.symbol + +dumpfn(SYMM_DATA, "../src/pymatgen/symmetry/symm_data.json") +dumpfn(SYMM_OPS, "../src/pymatgen/symmetry/symm_ops.json") diff --git a/docs/compatibility.md b/docs/compatibility.md index 61bdee2354c..115ed7ebe7e 100644 --- a/docs/compatibility.md +++ b/docs/compatibility.md @@ -67,6 +67,24 @@ Windows and Linux. ## Recent Breaking Changes +### v2024.?.? + +The `symbol` attribute of `SpaceGroup` now always refers to its Hermann-Mauguin symbol +(see [#3859](https://github.com/materialsproject/pymatgen/pull/3859)). In order to replace +the old symbol, run + +```py +from pymatgen.symmetry.groups import SpaceGroup + +try: + new_symbol = SpaceGroup(old_symbol).symbol +except ValueError: + if old_symbol in ["P2_12_121", "I2_12_121"]: + new_symbol = SpaceGroup(old_symbol[:-1]+"_1").symbol + else: + new_symbol = SpaceGroup(old_symbol[:-1]).symbol +``` + ### v2024.5.31 * Update VASP sets to transition `atomate2` to use `pymatgen` input sets exclusively by @esoteric-ephemera in [#3835](https://github.com/materialsproject/pymatgen/pull/3835) diff --git a/requirements.txt b/requirements.txt index 62faf1e6ecb..aecf3fc2b4d 100644 --- a/requirements.txt +++ b/requirements.txt @@ -1,6 +1,6 @@ # This file was autogenerated by uv via the following command: # uv pip compile pyproject.toml -o requirements.txt -certifi==2024.6.2 +certifi==2024.7.4 # via requests charset-normalizer==3.3.2 # via requests diff --git a/src/pymatgen/analysis/aflow_prototypes.json b/src/pymatgen/analysis/aflow_prototypes.json index 7b6eb9a8cc2..a80e1621420 100644 --- a/src/pymatgen/analysis/aflow_prototypes.json +++ b/src/pymatgen/analysis/aflow_prototypes.json @@ -1 +1,82528 @@ -[{"snl": {"@module": "pymatgen.util.provenance", "@class": "StructureNL", "charge": null, "lattice": {"matrix": [[-2.0725000000000007, -3.5896752986864984, -5.076160982465778e-16], [-2.072499999999999, 3.5896752986864984, 2.538080491232889e-16], [0.0, 0.0, -9.496]], "a": 4.1450000000000005, "b": 4.145, "c": 9.496, "alpha": 90.0, "beta": 90.0, "gamma": 120.00000000000001, "volume": 141.29292225757536}, "sites": [{"species": [{"element": "Hg", "occu": 1.0}], "abc": [0.2802000000000002, 0.2801999999999999, 0.33333], "xyz": [-1.1614290000000003, -1.1019124286649907e-15, -3.1653016800000002], "label": "Hg"}, {"species": [{"element": "Hg", "occu": 1.0}], "abc": [0.9999999999999999, 0.7198000000000001, 0.6666633333333334], "xyz": [-3.5642854999999996, -1.005827018691956, -6.3306350133333344], "label": "Hg"}, {"species": [{"element": "Hg", "occu": 1.0}], "abc": [0.7198, 1.9537414457130542e-18, 0.9999966666666666], "xyz": [-1.4917855000000004, -2.5838482799945415, -9.495968346666666], "label": "Hg"}, {"species": [{"element": "S", "occu": 1.0}], "abc": [0.5111000000000001, 0.5110999999999999, 0.83333], "xyz": [-2.1185094999999996, -8.4113601217869895e-16, -7.913301680000001], "label": "S"}, {"species": [{"element": "S", "occu": 1.0}], "abc": [0.9999999999999999, 0.4889000000000001, 0.16666333333333339], "xyz": [-3.08574525, -1.8346830451586684, -1.5826350133333342], "label": "S"}, {"species": [{"element": "S", "occu": 1.0}], "abc": [0.4889, 1.0, 0.49999666666666664], "xyz": [-3.0857452499999996, 1.8346830451586693, -4.747968346666667], "label": "S"}], "about": {"authors": [{"name": "AFLOW Library of Crystallographic Prototypes", "email": ""}], "projects": [], "references": "@article{reference0,\n author = \"P. Auvray and F. Genet\",\n title = \" Affinement de la structure cristalline du cinabre $\\alpha$-HgS\",\n journal = \" Bulletin de la Societe Francaise de Mineralogie et de Cristallographie\",\n volume = \"96\",\n year = \"1973\",\n page_first = \"218\",\n page_last = \"219\",\n pages = \"218--219\"\n}\n\n\n@article{Mehl2017,\n doi = {10.1016/j.commatsci.2017.01.017},\n url = {https://doi.org/10.1016/j.commatsci.2017.01.017},\n year = {2017},\n month = {aug},\n publisher = {Elsevier {BV}},\n volume = {136},\n pages = {S1--S828},\n author = {Michael J. Mehl and David Hicks and Cormac Toher and Ohad Levy and Robert M. Hanson and Gus Hart and Stefano Curtarolo},\n title = {The {AFLOW} Library of Crystallographic Prototypes: Part 1},\n journal = {Computational Materials Science}\n}\n\n", "remarks": ["Parsed from AFLOW Library of Crystallographic Prototypes for purposes of structure matching. Please cite appropriate AFLOW publication."], "history": [], "created_at": {"@module": "datetime", "@class": "datetime", "string": "2018-01-17 19:44:09.074386"}}}, "tags": {"pearson": "hP6", "aflow": "AB_hP6_154_a_b", "strukturbericht": "B9", "mineral": "Cinnabar"}}, {"snl": {"@module": "pymatgen.util.provenance", "@class": "StructureNL", "charge": null, "lattice": {"matrix": [[3.2064, -0.0, -0.0], [-1.9633537483930366e-16, 3.2064, 1.9633537483930366e-16], [-1.6031999999999997, -1.6032, 3.9239]], "a": 3.2064, "b": 3.2064, "c": 4.531830942345489, "alpha": 110.71773016459983, "beta": 110.71773016459983, "gamma": 90.0, "volume": 40.341619666944005}, "sites": [{"species": [{"element": "Mo", "occu": 1.0}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Mo"}, {"species": [{"element": "Si", "occu": 1.0}], "abc": [0.33529999999999993, 0.33529999999999993, 0.6705999999999999], "xyz": [1.117631143188191e-16, -3.7139997743906866e-17, 2.6313673399999997], "label": "Si"}, {"species": [{"element": "Si", "occu": 1.0}], "abc": [0.6647000000000001, 0.6647000000000001, 0.32940000000000014], "xyz": [1.6031999999999997, 1.6031999999999997, 1.2925326600000007], "label": "Si"}], "about": {"authors": [{"name": "AFLOW Library of Crystallographic Prototypes", "email": ""}], "projects": [], "references": "@article{reference0,\n author = \"Y. Harada and M. Morinaga and D. Saso and M. Takata and M. Sakata\",\n title = \" Refinement of crystal structure in MoSi$_2$\",\n journal = \" Intermetallics\",\n volume = \"6\",\n year = \"1998\",\n page_first = \"523\",\n page_last = \"527\",\n pages = \"523--527\"\n}\n\n\n@article{Mehl2017,\n doi = {10.1016/j.commatsci.2017.01.017},\n url = {https://doi.org/10.1016/j.commatsci.2017.01.017},\n year = {2017},\n month = {aug},\n publisher = {Elsevier {BV}},\n volume = {136},\n pages = {S1--S828},\n author = {Michael J. Mehl and David Hicks and Cormac Toher and Ohad Levy and Robert M. Hanson and Gus Hart and Stefano Curtarolo},\n title = {The {AFLOW} Library of Crystallographic Prototypes: Part 1},\n journal = {Computational Materials Science}\n}\n\n", "remarks": ["Parsed from AFLOW Library of Crystallographic Prototypes for purposes of structure matching. Please cite appropriate AFLOW publication."], "history": [], "created_at": {"@module": "datetime", "@class": "datetime", "string": "2018-01-17 19:44:09.091941"}}}, "tags": {"pearson": "tI6", "aflow": "AB2_tI6_139_a_e", "strukturbericht": "C11_b", "mineral": ""}}, {"snl": {"@module": "pymatgen.util.provenance", "@class": "StructureNL", "charge": null, "lattice": {"matrix": [[5.74, 0.0, 3.514736313552904e-16], [-3.514736313552904e-16, 5.74, 3.514736313552904e-16], [0.0, 0.0, 5.74]], "a": 5.74, "b": 5.74, "c": 5.74, "alpha": 90.0, "beta": 90.0, "gamma": 90.0, "volume": 189.119224}, "sites": [{"species": [{"element": "Cr", "occu": 1.0}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Cr"}, {"species": [{"element": "Fe", "occu": 1.0}], "abc": [0.5, 0.0, 0.0], "xyz": [2.87, 0.0, 1.757368156776452e-16], "label": "Fe"}, {"species": [{"element": "Fe", "occu": 1.0}], "abc": [0.0, 0.0, 0.5], "xyz": [0.0, 0.0, 2.87], "label": "Fe"}, {"species": [{"element": "Fe", "occu": 1.0}], "abc": [0.0, 0.5, 0.0], "xyz": [-1.757368156776452e-16, 2.87, 1.757368156776452e-16], "label": "Fe"}, {"species": [{"element": "Fe", "occu": 1.0}], "abc": [0.245, 0.245, 0.245], "xyz": [1.4063, 1.4063, 1.4063], "label": "Fe"}, {"species": [{"element": "Fe", "occu": 1.0}], "abc": [0.245, 0.755, 0.755], "xyz": [1.4062999999999999, 4.3337, 4.3337], "label": "Fe"}, {"species": [{"element": "Fe", "occu": 1.0}], "abc": [0.755, 0.245, 0.755], "xyz": [4.3337, 1.4063, 4.3337], "label": "Fe"}, {"species": [{"element": "Fe", "occu": 1.0}], "abc": [0.755, 0.755, 0.245], "xyz": [4.3337, 4.3337, 1.4063000000000005], "label": "Fe"}, {"species": [{"element": "Fe", "occu": 1.0}], "abc": [0.755, 0.755, 0.755], "xyz": [4.3337, 4.3337, 4.3337], "label": "Fe"}, {"species": [{"element": "Fe", "occu": 1.0}], "abc": [0.755, 0.245, 0.245], "xyz": [4.3337, 1.4063, 1.4063000000000003], "label": "Fe"}, {"species": [{"element": "Fe", "occu": 1.0}], "abc": [0.245, 0.755, 0.245], "xyz": [1.4062999999999999, 4.3337, 1.4063000000000003], "label": "Fe"}, {"species": [{"element": "Fe", "occu": 1.0}], "abc": [0.245, 0.245, 0.755], "xyz": [1.4063, 1.4063, 4.3337], "label": "Fe"}, {"species": [{"element": "Ni", "occu": 1.0}], "abc": [0.0, 0.5, 0.5], "xyz": [-1.757368156776452e-16, 2.87, 2.87], "label": "Ni"}, {"species": [{"element": "Ni", "occu": 1.0}], "abc": [0.5, 0.5, 0.0], "xyz": [2.87, 2.87, 3.514736313552904e-16], "label": "Ni"}, {"species": [{"element": "Ni", "occu": 1.0}], "abc": [0.5, 0.0, 0.5], "xyz": [2.87, 0.0, 2.87], "label": "Ni"}, {"species": [{"element": "Mo", "occu": 1.0}], "abc": [0.5, 0.5, 0.5], "xyz": [2.87, 2.87, 2.8700000000000006], "label": "Mo"}], "about": {"authors": [{"name": "AFLOW Library of Crystallographic Prototypes", "email": ""}], "projects": [], "references": "@article{reference0,\n author = \"Michael J. Mehl\",\n title = \" Hypothetical cP16 Austenite Structure\",\n journal = \" None\",\n volume = \"0\",\n year = \"2008\",\n page_first = \"0\",\n page_last = \"0\",\n pages = \"0--0\"\n}\n\n\n@article{Mehl2017,\n doi = {10.1016/j.commatsci.2017.01.017},\n url = {https://doi.org/10.1016/j.commatsci.2017.01.017},\n year = {2017},\n month = {aug},\n publisher = {Elsevier {BV}},\n volume = {136},\n pages = {S1--S828},\n author = {Michael J. Mehl and David Hicks and Cormac Toher and Ohad Levy and Robert M. Hanson and Gus Hart and Stefano Curtarolo},\n title = {The {AFLOW} Library of Crystallographic Prototypes: Part 1},\n journal = {Computational Materials Science}\n}\n\n", "remarks": ["Parsed from AFLOW Library of Crystallographic Prototypes for purposes of structure matching. Please cite appropriate AFLOW publication."], "history": [], "created_at": {"@module": "datetime", "@class": "datetime", "string": "2018-01-17 19:44:09.118643"}}}, "tags": {"pearson": "cP16", "aflow": "AB11CD3_cP16_221_a_dg_b_c", "strukturbericht": "None", "mineral": ""}}, {"snl": {"@module": "pymatgen.util.provenance", "@class": "StructureNL", "charge": null, "lattice": {"matrix": [[0.0, 0.0, 2.635], [-2.46, 2.395, 1.3175], [-2.4599999999999995, -2.395, 1.3174999999999997]], "a": 2.635, "b": 3.6774218210588785, "c": 3.6774218210588785, "alpha": 81.27507147249617, "beta": 69.00617672446863, "gamma": 69.00617672446863, "volume": 31.049258999999992}, "sites": [{"species": [{"element": "As", "occu": 1.0}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "As"}, {"species": [{"element": "Ga", "occu": 1.0}], "abc": [0.42500000000000027, 0.4999999999999999, 0.5], "xyz": [-2.4599999999999995, -2.220446049250313e-16, 2.4373750000000003], "label": "Ga"}], "about": {"authors": [{"name": "AFLOW Library of Crystallographic Prototypes", "email": ""}], "projects": [], "references": "@article{reference0,\n author = \"Samuel T. Weir and Yogesh K. Vohra and Craig A. Vanderborgh and Arthur L. Ruoff\",\n title = \" Structural phase transitions in GaAs to 108 GPa\",\n journal = \" Physical Review B\",\n volume = \"39\",\n year = \"1989\",\n page_first = \"1280\",\n page_last = \"1285\",\n pages = \"1280--1285\"\n}\n\n\n@article{Mehl2017,\n doi = {10.1016/j.commatsci.2017.01.017},\n url = {https://doi.org/10.1016/j.commatsci.2017.01.017},\n year = {2017},\n month = {aug},\n publisher = {Elsevier {BV}},\n volume = {136},\n pages = {S1--S828},\n author = {Michael J. Mehl and David Hicks and Cormac Toher and Ohad Levy and Robert M. Hanson and Gus Hart and Stefano Curtarolo},\n title = {The {AFLOW} Library of Crystallographic Prototypes: Part 1},\n journal = {Computational Materials Science}\n}\n\n", "remarks": ["Parsed from AFLOW Library of Crystallographic Prototypes for purposes of structure matching. Please cite appropriate AFLOW publication."], "history": [], "created_at": {"@module": "datetime", "@class": "datetime", "string": "2018-01-17 19:44:09.128544"}}}, "tags": {"pearson": "oI4", "aflow": "AB_oI4_44_a_b", "strukturbericht": "None", "mineral": ""}}, {"snl": {"@module": "pymatgen.util.provenance", "@class": "StructureNL", "charge": null, "lattice": {"matrix": [[-3.100528604728859, 0.0, 0.14675956956230699], [0.0, 0.0, -4.76], [4.600385700997032e-16, -7.513, -4.600385700997032e-16]], "a": 3.1039999999999996, "b": 4.76, "c": 7.513, "alpha": 90.0, "beta": 90.0, "gamma": 92.71, "volume": 110.8807318988809}, "sites": [{"species": [{"element": "Te", "occu": 1.0}], "abc": [0.75, 0.52, 0.77], "xyz": [-2.325396453546644, -5.78501, -2.36513032282827], "label": "Te"}, {"species": [{"element": "Te", "occu": 1.0}], "abc": [0.2500000000000001, 0.48, 0.27], "xyz": [-0.775132151182215, -2.0285100000000003, -2.248110107609423], "label": "Te"}, {"species": [{"element": "Te", "occu": 1.0}], "abc": [0.52, 0.98, 0.0], "xyz": [-1.6122748744590067, 0.0, -4.5884850238276], "label": "Te"}, {"species": [{"element": "Te", "occu": 1.0}], "abc": [0.48, 0.019999999999999907, 0.5], "xyz": [-1.4882537302698522, -3.7565, -0.024755406610092425], "label": "Te"}], "about": {"authors": [{"name": "AFLOW Library of Crystallographic Prototypes", "email": ""}], "projects": [], "references": "@article{reference0,\n author = \"Katsutoshi Aoki and Osamu Shimomura and Shigeru Minomura\",\n title = \" Crystal Structure of the High-Pressure Phase of Tellurium\",\n journal = \" Journal of the Physical Society of Japan\",\n volume = \"48\",\n year = \"1980\",\n page_first = \"551\",\n page_last = \"556\",\n pages = \"551--556\"\n}\n\n\n@article{Mehl2017,\n doi = {10.1016/j.commatsci.2017.01.017},\n url = {https://doi.org/10.1016/j.commatsci.2017.01.017},\n year = {2017},\n month = {aug},\n publisher = {Elsevier {BV}},\n volume = {136},\n pages = {S1--S828},\n author = {Michael J. Mehl and David Hicks and Cormac Toher and Ohad Levy and Robert M. Hanson and Gus Hart and Stefano Curtarolo},\n title = {The {AFLOW} Library of Crystallographic Prototypes: Part 1},\n journal = {Computational Materials Science}\n}\n\n", "remarks": ["Parsed from AFLOW Library of Crystallographic Prototypes for purposes of structure matching. Please cite appropriate AFLOW publication."], "history": [], "created_at": {"@module": "datetime", "@class": "datetime", "string": "2018-01-17 19:44:09.134632"}}}, "tags": {"pearson": "mP4", "aflow": "A_mP4_4_2a", "strukturbericht": "None", "mineral": "High Pressure (4-7GPa) Tellurium"}}, {"snl": {"@module": "pymatgen.util.provenance", "@class": "StructureNL", "charge": null, "lattice": {"matrix": [[-2.2615, -3.8305, -3.7302741502028373e-16], [-2.2615000000000003, 3.8305, 9.607354139310985e-17], [0.0, 0.0, -4.524]], "a": 4.448270731419121, "b": 4.448270731419121, "c": 4.524, "alpha": 90.0, "beta": 90.0, "gamma": 118.88539872839286, "volume": 78.37989018599998}, "sites": [{"species": [{"element": "Ga", "occu": 1.0}], "abc": [0.8451, 0.15490000000000004, 0.919], "xyz": [-2.2615, -2.6438110999999997, -4.1575560000000005], "label": "Ga"}, {"species": [{"element": "Ga", "occu": 1.0}], "abc": [0.15490000000000004, 0.8451, 0.08099999999999996], "xyz": [-2.2615000000000003, 2.6438110999999997, -0.3664439999999998], "label": "Ga"}, {"species": [{"element": "Ga", "occu": 1.0}], "abc": [0.34509999999999996, 0.6549, 0.581], "xyz": [-2.2615000000000003, 1.1866889, -2.628444], "label": "Ga"}, {"species": [{"element": "Ga", "occu": 1.0}], "abc": [0.6549, 0.34509999999999996, 0.41900000000000004], "xyz": [-2.2615, -1.1866889, -1.8955560000000005], "label": "Ga"}], "about": {"authors": [{"name": "AFLOW Library of Crystallographic Prototypes", "email": ""}], "projects": [], "references": "@article{reference0,\n author = \"Brahama D. Sharma and Jerry Donohue\",\n title = \" A refinement of the crystal structure of gallium\",\n journal = { Zeitschrift f\\\"{u}r Kristallographie},\n volume = \"117\",\n year = \"1962\",\n page_first = \"293\",\n page_last = \"300\",\n pages = \"293--300\"\n}\n\n\n@article{Mehl2017,\n doi = {10.1016/j.commatsci.2017.01.017},\n url = {https://doi.org/10.1016/j.commatsci.2017.01.017},\n year = {2017},\n month = {aug},\n publisher = {Elsevier {BV}},\n volume = {136},\n pages = {S1--S828},\n author = {Michael J. Mehl and David Hicks and Cormac Toher and Ohad Levy and Robert M. Hanson and Gus Hart and Stefano Curtarolo},\n title = {The {AFLOW} Library of Crystallographic Prototypes: Part 1},\n journal = {Computational Materials Science}\n}\n\n", "remarks": ["Parsed from AFLOW Library of Crystallographic Prototypes for purposes of structure matching. 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Mehl and David Hicks and Cormac Toher and Ohad Levy and Robert M. Hanson and Gus Hart and Stefano Curtarolo},\n title = {The {AFLOW} Library of Crystallographic Prototypes: Part 1},\n journal = {Computational Materials Science}\n}\n\n", "remarks": ["Parsed from AFLOW Library of Crystallographic Prototypes for purposes of structure matching. 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I. F. David and W. T. A. Harrison and J. M. F. Gunn and O. Moze, A. K. Soper and P. Day and J. D. Jorgensen and D. G. Hinks and M. A. Beno and L. Soderholm and D. W. Capone II and I. K. Schuller and C. U. Segre and K. Zhang and J. D. Grace\",\n title = \" Structure and crystal chemistry of the high-Tc superconductor YBa$_2$Cu$_3$O$_{7-x}$\",\n journal = \" Nature\",\n volume = \"327\",\n year = \"1987\",\n page_first = \"310\",\n page_last = \"312\",\n pages = \"310--312\"\n}\n\n\n@article{Mehl2017,\n doi = {10.1016/j.commatsci.2017.01.017},\n url = {https://doi.org/10.1016/j.commatsci.2017.01.017},\n year = {2017},\n month = {aug},\n publisher = {Elsevier {BV}},\n volume = {136},\n pages = {S1--S828},\n author = {Michael J. Mehl and David Hicks and Cormac Toher and Ohad Levy and Robert M. Hanson and Gus Hart and Stefano Curtarolo},\n title = {The {AFLOW} Library of Crystallographic Prototypes: Part 1},\n journal = {Computational Materials Science}\n}\n\n", "remarks": ["Parsed from AFLOW Library of Crystallographic Prototypes for purposes of structure matching. Please cite appropriate AFLOW publication."], "history": [], "created_at": {"@module": "datetime", "@class": "datetime", "string": "2018-01-17 19:44:09.191996"}}}, "tags": {"pearson": "oP13", "aflow": "A2B3C7D_oP13_47_t_aq_eqrs_h", "strukturbericht": "None", "mineral": ""}}, {"snl": {"@module": "pymatgen.util.provenance", "@class": "StructureNL", "charge": null, "lattice": {"matrix": [[3.7817, -0.0, -0.0], [-2.315623400167773e-16, 3.7817, 2.315623400167773e-16], [-1.89085, -1.89085, 6.62435]], "a": 3.7817, "b": 3.7817, "c": 7.143713345837723, "alpha": 105.3483713038484, "beta": 105.34837130384841, "gamma": 90.0, "volume": 94.73651783057149}, "sites": [{"species": [{"element": "Cu", "occu": 1.0}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Cu"}, {"species": [{"element": "La", "occu": 1.0}], "abc": [0.36075, 0.36075, 0.7215], "xyz": [1.1067680105725233e-17, 1.1067680105725233e-17, 4.779468525], "label": "La"}, {"species": [{"element": "La", "occu": 1.0}], "abc": [0.63925, 0.63925, 0.27849999999999997], "xyz": [1.89085, 1.89085, 1.8448814749999998], "label": "La"}, {"species": [{"element": "O", "occu": 1.0}], "abc": [1.0, 0.5, 1.0], "xyz": [1.89085, 0.0, 6.62435], "label": "O"}, {"species": [{"element": "O", "occu": 1.0}], "abc": [0.5, 0.0, 0.0], "xyz": [1.89085, 0.0, 0.0], "label": "O"}, {"species": [{"element": "O", "occu": 1.0}], "abc": [0.18239999999999998, 0.18239999999999998, 0.36479999999999996], "xyz": [-3.748686250304445e-17, -3.748686250304445e-17, 2.41656288], "label": "O"}, {"species": [{"element": "O", "occu": 1.0}], "abc": [0.8176, 0.8176, 0.6352], "xyz": [1.89085, 1.89085, 4.20778712], "label": "O"}], "about": {"authors": [{"name": "AFLOW Library of Crystallographic Prototypes", "email": ""}], "projects": [], "references": "@article{reference0,\n author = {J. D. Jorgensen and H.-B. Sch\\\"{u}ttler and D. G. Hinks and D. W. Capone, II and K. Zhang and M. B. Brodsky},\n title = \" Lattice instability and high-$T_c$ superconductivity in La$_{2-x}$Ba$_x$CuO$_4$\",\n journal = \" Physical Review Letters\",\n volume = \"58\",\n year = \"1987\",\n page_first = \"1024\",\n page_last = \"1029\",\n pages = \"1024--1029\"\n}\n\n\n@article{Mehl2017,\n doi = {10.1016/j.commatsci.2017.01.017},\n url = {https://doi.org/10.1016/j.commatsci.2017.01.017},\n year = {2017},\n month = {aug},\n publisher = {Elsevier {BV}},\n volume = {136},\n pages = {S1--S828},\n author = {Michael J. Mehl and David Hicks and Cormac Toher and Ohad Levy and Robert M. Hanson and Gus Hart and Stefano Curtarolo},\n title = {The {AFLOW} Library of Crystallographic Prototypes: Part 1},\n journal = {Computational Materials Science}\n}\n\n", "remarks": ["Parsed from AFLOW Library of Crystallographic Prototypes for purposes of structure matching. 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Crelling and Ond\\v{r}ej \\v{S}ustai and Milan Dr\\'{a}bek and Zden\\v{e}k Weiss and Mariana Klementov\\'{a},\",\n title = \" Arsenic in iron disulfides in a brown coal from the North Bohemian Basin, Czech Republic\",\n journal = \" International Journal of Coal Geology\",\n volume = \"71\",\n year = \"2007\",\n page_first = \"115\",\n page_last = \"121\",\n pages = \"115--121\"\n}\n\n\n@article{Mehl2017,\n doi = {10.1016/j.commatsci.2017.01.017},\n url = {https://doi.org/10.1016/j.commatsci.2017.01.017},\n year = {2017},\n month = {aug},\n publisher = {Elsevier {BV}},\n volume = {136},\n pages = {S1--S828},\n author = {Michael J. Mehl and David Hicks and Cormac Toher and Ohad Levy and Robert M. Hanson and Gus Hart and Stefano Curtarolo},\n title = {The {AFLOW} Library of Crystallographic Prototypes: Part 1},\n journal = {Computational Materials Science}\n}\n\n", "remarks": ["Parsed from AFLOW Library of Crystallographic Prototypes for purposes of structure matching. 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H. Keesom and K. W. Taconis\",\n title = \" On the crystal structure of chlorine\",\n journal = \" Physica\",\n volume = \"3\",\n year = \"1936\",\n page_first = \"237\",\n page_last = \"242\",\n pages = \"237--242\"\n}\n\n\n@article{Mehl2017,\n doi = {10.1016/j.commatsci.2017.01.017},\n url = {https://doi.org/10.1016/j.commatsci.2017.01.017},\n year = {2017},\n month = {aug},\n publisher = {Elsevier {BV}},\n volume = {136},\n pages = {S1--S828},\n author = {Michael J. Mehl and David Hicks and Cormac Toher and Ohad Levy and Robert M. Hanson and Gus Hart and Stefano Curtarolo},\n title = {The {AFLOW} Library of Crystallographic Prototypes: Part 1},\n journal = {Computational Materials Science}\n}\n\n", "remarks": ["Parsed from AFLOW Library of Crystallographic Prototypes for purposes of structure matching. 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Ma and C. R{\\o}mming and B. Lebech and J. Gj{\\o}nnes and J. Taft{\\o}\",\n title = \" Structure Refinement of AI3Zr using Single-Crystal X-ray Diffraction, Powder Neutron Diffraction and CBED\",\n journal = \" Acta Crystallographica B\",\n volume = \"48\",\n year = \"1992\",\n page_first = \"11\",\n page_last = \"16\",\n pages = \"11--16\"\n}\n\n\n@article{Mehl2017,\n doi = {10.1016/j.commatsci.2017.01.017},\n url = {https://doi.org/10.1016/j.commatsci.2017.01.017},\n year = {2017},\n month = {aug},\n publisher = {Elsevier {BV}},\n volume = {136},\n pages = {S1--S828},\n author = {Michael J. Mehl and David Hicks and Cormac Toher and Ohad Levy and Robert M. Hanson and Gus Hart and Stefano Curtarolo},\n title = {The {AFLOW} Library of Crystallographic Prototypes: Part 1},\n journal = {Computational Materials Science}\n}\n\n", "remarks": ["Parsed from AFLOW Library of Crystallographic Prototypes for purposes of structure matching. 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K. van Bever and W. Nieuwenkamp\",\n title = \" Die Kristallstruktur von Calciumchlorid, CaCl$_2$\",\n journal = { Zeitschrift f\\\"{u}r Kristallographie - Crystalline Materials},\n volume = \"90\",\n year = \"1935\",\n page_first = \"374\",\n page_last = \"376\",\n pages = \"374--376\"\n}\n\n\n@article{Mehl2017,\n doi = {10.1016/j.commatsci.2017.01.017},\n url = {https://doi.org/10.1016/j.commatsci.2017.01.017},\n year = {2017},\n month = {aug},\n publisher = {Elsevier {BV}},\n volume = {136},\n pages = {S1--S828},\n author = {Michael J. Mehl and David Hicks and Cormac Toher and Ohad Levy and Robert M. Hanson and Gus Hart and Stefano Curtarolo},\n title = {The {AFLOW} Library of Crystallographic Prototypes: Part 1},\n journal = {Computational Materials Science}\n}\n\n", "remarks": ["Parsed from AFLOW Library of Crystallographic Prototypes for purposes of structure matching. Please cite appropriate AFLOW publication."], "history": [], "created_at": {"@module": "datetime", "@class": "datetime", "string": "2018-01-17 19:44:09.266415"}}}, "tags": {"pearson": "oP6", "aflow": "AB2_oP6_58_a_g", "strukturbericht": "C35", "mineral": "Hydrophilite"}}, {"snl": {"@module": "pymatgen.util.provenance", "@class": "StructureNL", "charge": null, "lattice": {"matrix": [[5.46, -0.0, -0.0], [-3.343285761672274e-16, 5.46, 3.343285761672274e-16], [-2.7299999999999995, -2.73, 5.3625]], "a": 5.46, "b": 5.46, "c": 6.607738361194396, "alpha": 114.40298987790366, "beta": 114.40298987790366, "gamma": 90.0, "volume": 159.864705}, "sites": [{"species": [{"element": "Cu", "occu": 1.0}], "abc": [0.24999999999999994, 0.7499999999999999, 0.5], "xyz": [-2.220446049250313e-16, 2.7299999999999995, 2.6812500000000004], "label": "Cu"}, {"species": [{"element": "Cu", "occu": 1.0}], "abc": [0.7499999999999999, 0.24999999999999978, 0.5], "xyz": [2.73, -1.1102230246251565e-15, 2.68125], "label": "Cu"}, {"species": [{"element": "Fe", "occu": 1.0}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Fe"}, {"species": [{"element": "S", "occu": 1.0}], "abc": [0.37699999999999995, 0.377, 0.264], "xyz": [1.3376999999999997, 1.3377, 1.4157000000000002], "label": "S"}, {"species": [{"element": "S", "occu": 1.0}], "abc": [0.113, 0.623, 0.736], "xyz": [-1.3922999999999999, 1.3923, 3.9468], "label": "S"}, {"species": [{"element": "S", "occu": 1.0}], "abc": [0.623, 0.11299999999999993, 0.736], "xyz": [1.3923000000000003, -1.3923000000000003, 3.9467999999999996], "label": "S"}, {"species": [{"element": "S", "occu": 1.0}], "abc": [0.8869999999999999, 0.8869999999999999, 0.264], "xyz": [4.122299999999999, 4.122299999999999, 1.4157000000000004], "label": "S"}, {"species": [{"element": "Sn", "occu": 1.0}], "abc": [0.49999999999999994, 0.49999999999999994, 0.0], "xyz": [2.7299999999999995, 2.7299999999999995, 1.6716428808361368e-16], "label": "Sn"}], "about": {"authors": [{"name": "AFLOW Library of Crystallographic Prototypes", "email": ""}], "projects": [], "references": "@article{reference0,\n author = \"L. O. Brockway\",\n title = \" The Crystal Structure of Stannite, Cu$_2$FeSnS$_4$\",\n journal = { Zeitschrift f\\\"{u}r Kristallographie - Crystalline Materials},\n volume = \"89\",\n year = \"1934\",\n page_first = \"434\",\n page_last = \"441\",\n pages = \"434--441\"\n}\n\n\n@article{Mehl2017,\n doi = {10.1016/j.commatsci.2017.01.017},\n url = {https://doi.org/10.1016/j.commatsci.2017.01.017},\n year = {2017},\n month = {aug},\n publisher = {Elsevier {BV}},\n volume = {136},\n pages = {S1--S828},\n author = {Michael J. Mehl and David Hicks and Cormac Toher and Ohad Levy and Robert M. Hanson and Gus Hart and Stefano Curtarolo},\n title = {The {AFLOW} Library of Crystallographic Prototypes: Part 1},\n journal = {Computational Materials Science}\n}\n\n", "remarks": ["Parsed from AFLOW Library of Crystallographic Prototypes for purposes of structure matching. 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Emery and C. H\\'{e}rold and M. d'Astuto and V. Garcia and Ch. Bellin and J. F. Mar\\^{e}ch\\'{e} and P. Lagrange, and G. Loupias\",\n title = \" Superconductivity of Bulk CaC6\",\n journal = \" Physical Review Letters\",\n volume = \"95\",\n year = \"2005\",\n page_first = \"087003\",\n page_last = \"087003\",\n pages = \"087003--087003\"\n}\n\n\n@article{Mehl2017,\n doi = {10.1016/j.commatsci.2017.01.017},\n url = {https://doi.org/10.1016/j.commatsci.2017.01.017},\n year = {2017},\n month = {aug},\n publisher = {Elsevier {BV}},\n volume = {136},\n pages = {S1--S828},\n author = {Michael J. Mehl and David Hicks and Cormac Toher and Ohad Levy and Robert M. Hanson and Gus Hart and Stefano Curtarolo},\n title = {The {AFLOW} Library of Crystallographic Prototypes: Part 1},\n journal = {Computational Materials Science}\n}\n\n", "remarks": ["Parsed from AFLOW Library of Crystallographic Prototypes for purposes of structure matching. 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Goretzki\",\n title = \" Neutron Diffraction Studies on Titanium-Carbon and Zirconium-Carbon Alloys\",\n journal = \" Physica Status Solidi B\",\n volume = \"20\",\n year = \"1967\",\n page_first = \"K141\",\n page_last = \"K143\",\n pages = \"K141--K143\"\n}\n\n\n@article{Mehl2017,\n doi = {10.1016/j.commatsci.2017.01.017},\n url = {https://doi.org/10.1016/j.commatsci.2017.01.017},\n year = {2017},\n month = {aug},\n publisher = {Elsevier {BV}},\n volume = {136},\n pages = {S1--S828},\n author = {Michael J. Mehl and David Hicks and Cormac Toher and Ohad Levy and Robert M. Hanson and Gus Hart and Stefano Curtarolo},\n title = {The {AFLOW} Library of Crystallographic Prototypes: Part 1},\n journal = {Computational Materials Science}\n}\n\n", "remarks": ["Parsed from AFLOW Library of Crystallographic Prototypes for purposes of structure matching. 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Tucker, Jr. and Peter Senio\",\n title = \" An improved determination of the crystal structure of $\\beta$-uranium\",\n journal = \" Acta Crystallographica\",\n volume = \"6\",\n year = \"1953\",\n page_first = \"753\",\n page_last = \"760\",\n pages = \"753--760\"\n}\n\n\n@article{Mehl2017,\n doi = {10.1016/j.commatsci.2017.01.017},\n url = {https://doi.org/10.1016/j.commatsci.2017.01.017},\n year = {2017},\n month = {aug},\n publisher = {Elsevier {BV}},\n volume = {136},\n pages = {S1--S828},\n author = {Michael J. Mehl and David Hicks and Cormac Toher and Ohad Levy and Robert M. Hanson and Gus Hart and Stefano Curtarolo},\n title = {The {AFLOW} Library of Crystallographic Prototypes: Part 1},\n journal = {Computational Materials Science}\n}\n\n", "remarks": ["Parsed from AFLOW Library of Crystallographic Prototypes for purposes of structure matching. 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Svensson\",\n title = \" The crystal structure of orthorhombic antimony trioxide, Sb$_2$O$_3$\",\n journal = \" Acta Crystallographica B\",\n volume = \"30\",\n year = \"1974\",\n page_first = \"458\",\n page_last = \"461\",\n pages = \"458--461\"\n}\n\n\n@article{Mehl2017,\n doi = {10.1016/j.commatsci.2017.01.017},\n url = {https://doi.org/10.1016/j.commatsci.2017.01.017},\n year = {2017},\n month = {aug},\n publisher = {Elsevier {BV}},\n volume = {136},\n pages = {S1--S828},\n author = {Michael J. Mehl and David Hicks and Cormac Toher and Ohad Levy and Robert M. Hanson and Gus Hart and Stefano Curtarolo},\n title = {The {AFLOW} Library of Crystallographic Prototypes: Part 1},\n journal = {Computational Materials Science}\n}\n\n", "remarks": ["Parsed from AFLOW Library of Crystallographic Prototypes for purposes of structure matching. 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Wechsler and Charles T. Prewitt\",\n title = \" Crystal Structure of Ilmenite (FeTiO$_3$) at high temperature and high pressure\",\n journal = \" American Mineralogist\",\n volume = \"69\",\n year = \"1984\",\n page_first = \"176\",\n page_last = \"185\",\n pages = \"176--185\"\n}\n\n\n@article{Mehl2017,\n doi = {10.1016/j.commatsci.2017.01.017},\n url = {https://doi.org/10.1016/j.commatsci.2017.01.017},\n year = {2017},\n month = {aug},\n publisher = {Elsevier {BV}},\n volume = {136},\n pages = {S1--S828},\n author = {Michael J. Mehl and David Hicks and Cormac Toher and Ohad Levy and Robert M. Hanson and Gus Hart and Stefano Curtarolo},\n title = {The {AFLOW} Library of Crystallographic Prototypes: Part 1},\n journal = {Computational Materials Science}\n}\n\n", "remarks": ["Parsed from AFLOW Library of Crystallographic Prototypes for purposes of structure matching. 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H. Zachariasen\",\n title = \" Crystal chemical studies of the 5f-series of elements. XVII. The crystal structure of neptunium metal\",\n journal = \" Acta Crystallographica\",\n volume = \"5\",\n year = \"1952\",\n page_first = \"660\",\n page_last = \"664\",\n pages = \"660--664\"\n}\n\n\n@article{Mehl2017,\n doi = {10.1016/j.commatsci.2017.01.017},\n url = {https://doi.org/10.1016/j.commatsci.2017.01.017},\n year = {2017},\n month = {aug},\n publisher = {Elsevier {BV}},\n volume = {136},\n pages = {S1--S828},\n author = {Michael J. Mehl and David Hicks and Cormac Toher and Ohad Levy and Robert M. Hanson and Gus Hart and Stefano Curtarolo},\n title = {The {AFLOW} Library of Crystallographic Prototypes: Part 1},\n journal = {Computational Materials Science}\n}\n\n", "remarks": ["Parsed from AFLOW Library of Crystallographic Prototypes for purposes of structure matching. 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Boysen and F. Altorfer\",\n title = \" A neutron powder investigation of the high-temperature structure and phase transition in LiNbO$_3$\",\n journal = \" Acta Crystallographica B\",\n volume = \"50\",\n year = \"1994\",\n page_first = \"405\",\n page_last = \"414\",\n pages = \"405--414\"\n}\n\n\n@article{Mehl2017,\n doi = {10.1016/j.commatsci.2017.01.017},\n url = {https://doi.org/10.1016/j.commatsci.2017.01.017},\n year = {2017},\n month = {aug},\n publisher = {Elsevier {BV}},\n volume = {136},\n pages = {S1--S828},\n author = {Michael J. Mehl and David Hicks and Cormac Toher and Ohad Levy and Robert M. Hanson and Gus Hart and Stefano Curtarolo},\n title = {The {AFLOW} Library of Crystallographic Prototypes: Part 1},\n journal = {Computational Materials Science}\n}\n\n", "remarks": ["Parsed from AFLOW Library of Crystallographic Prototypes for purposes of structure matching. 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Florio and R. E. Rundle and A. I. Snow\",\n title = \" Compounds of thorium with transition metals. I. The thorium-manganese system\",\n journal = \" Acta Crystallographica\",\n volume = \"5\",\n year = \"1952\",\n page_first = \"449\",\n page_last = \"457\",\n pages = \"449--457\"\n}\n\n\n@article{Mehl2017,\n doi = {10.1016/j.commatsci.2017.01.017},\n url = {https://doi.org/10.1016/j.commatsci.2017.01.017},\n year = {2017},\n month = {aug},\n publisher = {Elsevier {BV}},\n volume = {136},\n pages = {S1--S828},\n author = {Michael J. Mehl and David Hicks and Cormac Toher and Ohad Levy and Robert M. Hanson and Gus Hart and Stefano Curtarolo},\n title = {The {AFLOW} Library of Crystallographic Prototypes: Part 1},\n journal = {Computational Materials Science}\n}\n\n", "remarks": ["Parsed from AFLOW Library of Crystallographic Prototypes for purposes of structure matching. 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"@article{reference0,\n author = \"Niyum S Rampersadh and Andrew M Venter and David G Billing\",\n title = \" Rietveld refinement of In$_2$S$_3$ using neutron and X-ray powder diffraction data\",\n journal = \" Physica B\",\n volume = \"350\",\n year = \"2004\",\n page_first = \"e383\",\n page_last = \"e385\",\n pages = \"e383--e385\"\n}\n\n\n@article{Mehl2017,\n doi = {10.1016/j.commatsci.2017.01.017},\n url = {https://doi.org/10.1016/j.commatsci.2017.01.017},\n year = {2017},\n month = {aug},\n publisher = {Elsevier {BV}},\n volume = {136},\n pages = {S1--S828},\n author = {Michael J. Mehl and David Hicks and Cormac Toher and Ohad Levy and Robert M. Hanson and Gus Hart and Stefano Curtarolo},\n title = {The {AFLOW} Library of Crystallographic Prototypes: Part 1},\n journal = {Computational Materials Science}\n}\n\n", "remarks": ["Parsed from AFLOW Library of Crystallographic Prototypes for purposes of structure matching. Please cite appropriate AFLOW publication."], "history": [], "created_at": {"@module": "datetime", "@class": "datetime", "string": "2018-01-17 19:44:10.007349"}}}, "tags": {"pearson": "tI80", "aflow": "A2B3_tI80_141_ceh_3h", "strukturbericht": "None", "mineral": "beta indium sulfide"}}, {"snl": {"@module": "pymatgen.util.provenance", "@class": "StructureNL", "charge": null, "lattice": {"matrix": [[0.0, 0.0, -4.325], [3.651284431657834e-16, -5.963, -3.651284431657834e-16], [-12.735, 0.0, -7.797938493570771e-16]], "a": 4.325, "b": 5.963, "c": 12.735, "alpha": 90.0, "beta": 90.0, "gamma": 90.0, "volume": 328.435331625}, "sites": [{"species": [{"element": "Hg", "occu": 1.0}], "abc": [0.5529999999999999, 0.75, 0.1259999999999999], "xyz": [-1.6046099999999983, -4.47225, -2.391725], "label": "Hg"}, {"species": [{"element": "Hg", "occu": 1.0}], "abc": [0.9470000000000001, 0.75, 0.6259999999999999], "xyz": [-7.972109999999998, -4.47225, -4.0957750000000015], "label": "Hg"}, {"species": [{"element": "Hg", "occu": 1.0}], "abc": [0.44700000000000006, 0.25, 0.874], "xyz": [-11.13039, -1.49075, -1.933275000000001], "label": "Hg"}, {"species": [{"element": "Hg", "occu": 1.0}], "abc": [0.052999999999999825, 0.25, 0.374], "xyz": [-4.76289, -1.49075, -0.22922499999999965], "label": "Hg"}, {"species": [{"element": "Cl", "occu": 1.0}], "abc": [0.875, 0.75, 0.267], "xyz": [-3.400245, -4.47225, -3.7843750000000007], "label": "Cl"}, {"species": [{"element": "Cl", "occu": 1.0}], "abc": [0.625, 0.75, 0.7669999999999999], "xyz": [-9.767744999999998, -4.47225, -2.703125000000001], "label": "Cl"}, {"species": [{"element": "Cl", "occu": 1.0}], "abc": [0.125, 0.25, 0.733], "xyz": [-9.334755, -1.49075, -0.5406250000000007], "label": "Cl"}, {"species": [{"element": "Cl", "occu": 1.0}], "abc": [0.375, 0.25, 0.23299999999999998], "xyz": [-2.9672549999999998, -1.49075, -1.6218750000000004], "label": "Cl"}, {"species": [{"element": "Cl", "occu": 1.0}], "abc": [0.278, 0.75, 0.492], "xyz": [-6.265619999999999, -4.47225, -1.202350000000001], "label": "Cl"}, {"species": [{"element": "Cl", "occu": 1.0}], "abc": [0.22199999999999986, 0.75, 0.992], "xyz": [-12.63312, -4.47225, -0.9601500000000005], "label": "Cl"}, {"species": [{"element": "Cl", "occu": 1.0}], "abc": [0.722, 0.25, 0.508], "xyz": [-6.46938, -1.49075, -3.1226500000000006], "label": "Cl"}, {"species": [{"element": "Cl", "occu": 1.0}], "abc": [0.778, 0.25, 0.007999999999999896], "xyz": [-0.10187999999999858, -1.49075, -3.36485], "label": "Cl"}], "about": {"authors": [{"name": "AFLOW Library of Crystallographic Prototypes", "email": ""}], "projects": [], "references": "@article{reference0,\n author = \"H. Braekken and W. Scholten\",\n title = \" Die Kristallstruktur des Quecksilberchloride HgCl$_2$\",\n journal = { Zeitschrift f\\\"{u}r Kristallographie - Crystalline Materials},\n volume = \"89\",\n year = \"1934\",\n page_first = \"448\",\n page_last = \"455\",\n pages = \"448--455\"\n}\n\n\n@article{Mehl2017,\n doi = {10.1016/j.commatsci.2017.01.017},\n url = {https://doi.org/10.1016/j.commatsci.2017.01.017},\n year = {2017},\n month = {aug},\n publisher = {Elsevier {BV}},\n volume = {136},\n pages = {S1--S828},\n author = {Michael J. Mehl and David Hicks and Cormac Toher and Ohad Levy and Robert M. Hanson and Gus Hart and Stefano Curtarolo},\n title = {The {AFLOW} Library of Crystallographic Prototypes: Part 1},\n journal = {Computational Materials Science}\n}\n\n", "remarks": ["Parsed from AFLOW Library of Crystallographic Prototypes for purposes of structure matching. 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J. Cookson and M. M. Elcombe and T. R. Finlayson\",\n title = \" Phonon dispersion relations for potassium thiocyanate at and above room temperature\",\n journal = \" Journal of Physics: Condensed Matter\",\n volume = \"4\",\n year = \"1992\",\n page_first = \"7851\",\n page_last = \"7864\",\n pages = \"7851--7864\"\n}\n\n\n@article{Mehl2017,\n doi = {10.1016/j.commatsci.2017.01.017},\n url = {https://doi.org/10.1016/j.commatsci.2017.01.017},\n year = {2017},\n month = {aug},\n publisher = {Elsevier {BV}},\n volume = {136},\n pages = {S1--S828},\n author = {Michael J. Mehl and David Hicks and Cormac Toher and Ohad Levy and Robert M. Hanson and Gus Hart and Stefano Curtarolo},\n title = {The {AFLOW} Library of Crystallographic Prototypes: Part 1},\n journal = {Computational Materials Science}\n}\n\n", "remarks": ["Parsed from AFLOW Library of Crystallographic Prototypes for purposes of structure matching. 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Friauf\",\n title = \" The Crystal Structures of Two Intermetallic Compounds\",\n journal = \" Journal of the American Chemical Society\",\n volume = \"49\",\n year = \"1927\",\n page_first = \"3107\",\n page_last = \"3114\",\n pages = \"3107--3114\"\n}\n\n\n@article{Mehl2017,\n doi = {10.1016/j.commatsci.2017.01.017},\n url = {https://doi.org/10.1016/j.commatsci.2017.01.017},\n year = {2017},\n month = {aug},\n publisher = {Elsevier {BV}},\n volume = {136},\n pages = {S1--S828},\n author = {Michael J. Mehl and David Hicks and Cormac Toher and Ohad Levy and Robert M. Hanson and Gus Hart and Stefano Curtarolo},\n title = {The {AFLOW} Library of Crystallographic Prototypes: Part 1},\n journal = {Computational Materials Science}\n}\n\n", "remarks": ["Parsed from AFLOW Library of Crystallographic Prototypes for purposes of structure matching. 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A. Dollase\",\n title = \" The crystal structure at 220$^\\circ$C of orthorhombic high tridymite from the Steinbach meteorite\",\n journal = \" Acta Crystallographica\",\n volume = \"23\",\n year = \"1967\",\n page_first = \"617\",\n page_last = \"623\",\n pages = \"617--623\"\n}\n\n\n@article{Mehl2017,\n doi = {10.1016/j.commatsci.2017.01.017},\n url = {https://doi.org/10.1016/j.commatsci.2017.01.017},\n year = {2017},\n month = {aug},\n publisher = {Elsevier {BV}},\n volume = {136},\n pages = {S1--S828},\n author = {Michael J. Mehl and David Hicks and Cormac Toher and Ohad Levy and Robert M. Hanson and Gus Hart and Stefano Curtarolo},\n title = {The {AFLOW} Library of Crystallographic Prototypes: Part 1},\n journal = {Computational Materials Science}\n}\n\n", "remarks": ["Parsed from AFLOW Library of Crystallographic Prototypes for purposes of structure matching. 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Mehl\",\n title = \" Hypothetical cP32 Austenite Structure\",\n journal = \" None\",\n volume = \"0\",\n year = \"2008\",\n page_first = \"0\",\n page_last = \"0\",\n pages = \"0--0\"\n}\n\n\n@article{Mehl2017,\n doi = {10.1016/j.commatsci.2017.01.017},\n url = {https://doi.org/10.1016/j.commatsci.2017.01.017},\n year = {2017},\n month = {aug},\n publisher = {Elsevier {BV}},\n volume = {136},\n pages = {S1--S828},\n author = {Michael J. Mehl and David Hicks and Cormac Toher and Ohad Levy and Robert M. Hanson and Gus Hart and Stefano Curtarolo},\n title = {The {AFLOW} Library of Crystallographic Prototypes: Part 1},\n journal = {Computational Materials Science}\n}\n\n", "remarks": ["Parsed from AFLOW Library of Crystallographic Prototypes for purposes of structure matching. 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J. Meier and R. B. Helmholdt\",\n title = \" Neutron-diffraction study of $\\alpha$- and $\\beta$-oxygen\",\n journal = \" Physical Review B\",\n volume = \"29\",\n year = \"1984\",\n page_first = \"1387\",\n page_last = \"1393\",\n pages = \"1387--1393\"\n}\n\n\n@article{Mehl2017,\n doi = {10.1016/j.commatsci.2017.01.017},\n url = {https://doi.org/10.1016/j.commatsci.2017.01.017},\n year = {2017},\n month = {aug},\n publisher = {Elsevier {BV}},\n volume = {136},\n pages = {S1--S828},\n author = {Michael J. Mehl and David Hicks and Cormac Toher and Ohad Levy and Robert M. Hanson and Gus Hart and Stefano Curtarolo},\n title = {The {AFLOW} Library of Crystallographic Prototypes: Part 1},\n journal = {Computational Materials Science}\n}\n\n", "remarks": ["Parsed from AFLOW Library of Crystallographic Prototypes for purposes of structure matching. 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Helleis and H. Kandler and E. Leicht and W. Quiring and E. W\\\"{o}lfel},\n title = \" Die Kristallstrukturen der intermetallischen Phasen Ca$_{33}$Ge, Ca$_7$Ge, Ca$_3$Pb und Ca$_5$Pb$_3$\",\n journal = { Zeitschrift f\\\"{u}r anorganische und allgemeine Chemie},\n volume = \"320\",\n year = \"1963\",\n page_first = \"86\",\n page_last = \"100\",\n pages = \"86--100\"\n}\n\n\n@article{Mehl2017,\n doi = {10.1016/j.commatsci.2017.01.017},\n url = {https://doi.org/10.1016/j.commatsci.2017.01.017},\n year = {2017},\n month = {aug},\n publisher = {Elsevier {BV}},\n volume = {136},\n pages = {S1--S828},\n author = {Michael J. Mehl and David Hicks and Cormac Toher and Ohad Levy and Robert M. Hanson and Gus Hart and Stefano Curtarolo},\n title = {The {AFLOW} Library of Crystallographic Prototypes: Part 1},\n journal = {Computational Materials Science}\n}\n\n", "remarks": ["Parsed from AFLOW Library of Crystallographic Prototypes for purposes of structure matching. 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Yi. Bodak and Je. P. Marusin\",\n title = \" The Crystal Structure of RNiC$_2$ Compounds (R=Ce,La,Pr)\",\n journal = \" Dopovidi Akademii Nauk Ukrains'koj RSR Seriya A, Fiziko-Tekhnichni ta Matematichni Nauki\",\n volume = \"12\",\n year = \"1979\",\n page_first = \"1048\",\n page_last = \"1050\",\n pages = \"1048--1050\"\n}\n\n\n@article{Mehl2017,\n doi = {10.1016/j.commatsci.2017.01.017},\n url = {https://doi.org/10.1016/j.commatsci.2017.01.017},\n year = {2017},\n month = {aug},\n publisher = {Elsevier {BV}},\n volume = {136},\n pages = {S1--S828},\n author = {Michael J. Mehl and David Hicks and Cormac Toher and Ohad Levy and Robert M. Hanson and Gus Hart and Stefano Curtarolo},\n title = {The {AFLOW} Library of Crystallographic Prototypes: Part 1},\n journal = {Computational Materials Science}\n}\n\n", "remarks": ["Parsed from AFLOW Library of Crystallographic Prototypes for purposes of structure matching. 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structure description. 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Schubert and H. Pfisterer\",\n title = { Zur Kristallchemie der B-Metall-reichsten Phasen in Legierungen von \\\"{U}\"bergangsmetallen der Eisen- und Platintriaden mit Elementen der vierten Nebengruppe},\n journal = { Zeitschrift f\\\"{u}r Metallkunde},\n volume = \"41\",\n year = \"1950\",\n page_first = \"433\",\n page_last = \"441\",\n pages = \"433--441\"\n}\n\n\n@article{Mehl2017,\n doi = {10.1016/j.commatsci.2017.01.017},\n url = {https://doi.org/10.1016/j.commatsci.2017.01.017},\n year = {2017},\n month = {aug},\n publisher = {Elsevier {BV}},\n volume = {136},\n pages = {S1--S828},\n author = {Michael J. Mehl and David Hicks and Cormac Toher and Ohad Levy and Robert M. Hanson and Gus Hart and Stefano Curtarolo},\n title = {The {AFLOW} Library of Crystallographic Prototypes: Part 1},\n journal = {Computational Materials Science}\n}\n\n", "remarks": ["Parsed from AFLOW Library of Crystallographic Prototypes for purposes of structure matching. 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Mehl\",\n title = \" Hypothetical cF128 Austenite Structure\",\n journal = \" None\",\n volume = \"0\",\n year = \"2008\",\n page_first = \"0\",\n page_last = \"0\",\n pages = \"0--0\"\n}\n\n\n@article{Mehl2017,\n doi = {10.1016/j.commatsci.2017.01.017},\n url = {https://doi.org/10.1016/j.commatsci.2017.01.017},\n year = {2017},\n month = {aug},\n publisher = {Elsevier {BV}},\n volume = {136},\n pages = {S1--S828},\n author = {Michael J. Mehl and David Hicks and Cormac Toher and Ohad Levy and Robert M. Hanson and Gus Hart and Stefano Curtarolo},\n title = {The {AFLOW} Library of Crystallographic Prototypes: Part 1},\n journal = {Computational Materials Science}\n}\n\n", "remarks": ["Parsed from AFLOW Library of Crystallographic Prototypes for purposes of structure matching. 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S. Lyman and C. T. Prewitt\",\n title = \" Room- and high-pressure crystal chemistry of CoAs and FeAs\",\n journal = \" Acta Crystallographica B\",\n volume = \"40\",\n year = \"1984\",\n page_first = \"14\",\n page_last = \"20\",\n pages = \"14--20\"\n}\n\n\n@article{Mehl2017,\n doi = {10.1016/j.commatsci.2017.01.017},\n url = {https://doi.org/10.1016/j.commatsci.2017.01.017},\n year = {2017},\n month = {aug},\n publisher = {Elsevier {BV}},\n volume = {136},\n pages = {S1--S828},\n author = {Michael J. Mehl and David Hicks and Cormac Toher and Ohad Levy and Robert M. Hanson and Gus Hart and Stefano Curtarolo},\n title = {The {AFLOW} Library of Crystallographic Prototypes: Part 1},\n journal = {Computational Materials Science}\n}\n\n", "remarks": ["Parsed from AFLOW Library of Crystallographic Prototypes for purposes of structure matching. 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Arnfelt\",\n title = \" Crystal Structure of Fe$_7$W$_6$\",\n journal = \" Jernkontorets Annaler\",\n volume = \"119\",\n year = \"1935\",\n page_first = \"185\",\n page_last = \"187\",\n pages = \"185--187\"\n}\n\n\n@article{Mehl2017,\n doi = {10.1016/j.commatsci.2017.01.017},\n url = {https://doi.org/10.1016/j.commatsci.2017.01.017},\n year = {2017},\n month = {aug},\n publisher = {Elsevier {BV}},\n volume = {136},\n pages = {S1--S828},\n author = {Michael J. Mehl and David Hicks and Cormac Toher and Ohad Levy and Robert M. Hanson and Gus Hart and Stefano Curtarolo},\n title = {The {AFLOW} Library of Crystallographic Prototypes: Part 1},\n journal = {Computational Materials Science}\n}\n\n", "remarks": ["Parsed from AFLOW Library of Crystallographic Prototypes for purposes of structure matching. 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Mehl\",\n title = \" Hypothetical cI16 Austenite Structure\",\n journal = \" None\",\n volume = \"0\",\n year = \"2008\",\n page_first = \"0\",\n page_last = \"0\",\n pages = \"0--0\"\n}\n\n\n@article{Mehl2017,\n doi = {10.1016/j.commatsci.2017.01.017},\n url = {https://doi.org/10.1016/j.commatsci.2017.01.017},\n year = {2017},\n month = {aug},\n publisher = {Elsevier {BV}},\n volume = {136},\n pages = {S1--S828},\n author = {Michael J. Mehl and David Hicks and Cormac Toher and Ohad Levy and Robert M. Hanson and Gus Hart and Stefano Curtarolo},\n title = {The {AFLOW} Library of Crystallographic Prototypes: Part 1},\n journal = {Computational Materials Science}\n}\n\n", "remarks": ["Parsed from AFLOW Library of Crystallographic Prototypes for purposes of structure matching. 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Siegrist and F. Hulliger and G. Travaglini\",\n title = \" The crystal structure and some properties of ReSi$_2$\",\n journal = \" Journal of the Less Common Metals\",\n volume = \"92\",\n year = \"1983\",\n page_first = \"119\",\n page_last = \"129\",\n pages = \"119--129\"\n}\n\n\n@article{Mehl2017,\n doi = {10.1016/j.commatsci.2017.01.017},\n url = {https://doi.org/10.1016/j.commatsci.2017.01.017},\n year = {2017},\n month = {aug},\n publisher = {Elsevier {BV}},\n volume = {136},\n pages = {S1--S828},\n author = {Michael J. Mehl and David Hicks and Cormac Toher and Ohad Levy and Robert M. Hanson and Gus Hart and Stefano Curtarolo},\n title = {The {AFLOW} Library of Crystallographic Prototypes: Part 1},\n journal = {Computational Materials Science}\n}\n\n", "remarks": ["Parsed from AFLOW Library of Crystallographic Prototypes for purposes of structure matching. 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A. Wiegers\",\n title = \" The Crystal Structure of the Low-Temperature Form of Silver Selenide\",\n journal = \" American Mineralogist\",\n volume = \"56\",\n year = \"1971\",\n page_first = \"1882\",\n page_last = \"1888\",\n pages = \"1882--1888\"\n}\n\n\n@article{Mehl2017,\n doi = {10.1016/j.commatsci.2017.01.017},\n url = {https://doi.org/10.1016/j.commatsci.2017.01.017},\n year = {2017},\n month = {aug},\n publisher = {Elsevier {BV}},\n volume = {136},\n pages = {S1--S828},\n author = {Michael J. Mehl and David Hicks and Cormac Toher and Ohad Levy and Robert M. Hanson and Gus Hart and Stefano Curtarolo},\n title = {The {AFLOW} Library of Crystallographic Prototypes: Part 1},\n journal = {Computational Materials Science}\n}\n\n", "remarks": ["Parsed from AFLOW Library of Crystallographic Prototypes for purposes of structure matching. 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N. Eremenko and Yu. I. Buyanov and S. B. Prima\",\n title = \" Phase diagram of the system titanium-copper\",\n journal = \" Soviet Powder Metallurgy and Metal Ceramics\",\n volume = \"5\",\n year = \"1966\",\n page_first = \"494\",\n page_last = \"502\",\n pages = \"494--502\"\n}\n\n\n@article{Mehl2017,\n doi = {10.1016/j.commatsci.2017.01.017},\n url = {https://doi.org/10.1016/j.commatsci.2017.01.017},\n year = {2017},\n month = {aug},\n publisher = {Elsevier {BV}},\n volume = {136},\n pages = {S1--S828},\n author = {Michael J. Mehl and David Hicks and Cormac Toher and Ohad Levy and Robert M. Hanson and Gus Hart and Stefano Curtarolo},\n title = {The {AFLOW} Library of Crystallographic Prototypes: Part 1},\n journal = {Computational Materials Science}\n}\n\n", "remarks": ["Parsed from AFLOW Library of Crystallographic Prototypes for purposes of structure matching. 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T. Waugh and Linus Pauling\",\n title = \" The crystal structure of the metallic phase Mg$_{32}$(Al, Zn)$_{49}$\",\n journal = \" Acta Crystallographica\",\n volume = \"10\",\n year = \"1957\",\n page_first = \"254\",\n page_last = \"259\",\n pages = \"254--259\"\n}\n\n\n@article{Mehl2017,\n doi = {10.1016/j.commatsci.2017.01.017},\n url = {https://doi.org/10.1016/j.commatsci.2017.01.017},\n year = {2017},\n month = {aug},\n publisher = {Elsevier {BV}},\n volume = {136},\n pages = {S1--S828},\n author = {Michael J. Mehl and David Hicks and Cormac Toher and Ohad Levy and Robert M. Hanson and Gus Hart and Stefano Curtarolo},\n title = {The {AFLOW} Library of Crystallographic Prototypes: Part 1},\n journal = {Computational Materials Science}\n}\n\n", "remarks": ["Parsed from AFLOW Library of Crystallographic Prototypes for purposes of structure matching. 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E. Rundle and C. G. Shull and E. O. Wollan\",\n title = \" The crystal structure of thorium and zirconium dihydrides by X-ray and neutron diffraction\",\n journal = \" Acta Crystallographica\",\n volume = \"5\",\n year = \"1952\",\n page_first = \"22\",\n page_last = \"26\",\n pages = \"22--26\"\n}\n\n\n@article{Mehl2017,\n doi = {10.1016/j.commatsci.2017.01.017},\n url = {https://doi.org/10.1016/j.commatsci.2017.01.017},\n year = {2017},\n month = {aug},\n publisher = {Elsevier {BV}},\n volume = {136},\n pages = {S1--S828},\n author = {Michael J. Mehl and David Hicks and Cormac Toher and Ohad Levy and Robert M. Hanson and Gus Hart and Stefano Curtarolo},\n title = {The {AFLOW} Library of Crystallographic Prototypes: Part 1},\n journal = {Computational Materials Science}\n}\n\n", "remarks": ["Parsed from AFLOW Library of Crystallographic Prototypes for purposes of structure matching. 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G. Pinsker and S. V. Kaverin\",\n title = \" Electron-Diffraction Determination of the Structure of Iron Carbide Fe$_4$C\",\n journal = \" Soviet Physics-Crystallography, translated from Kristallografiya\",\n volume = \"1\",\n year = \"1956\",\n page_first = \"48\",\n page_last = \"53\",\n pages = \"48--53\"\n}\n\n\n@article{Mehl2017,\n doi = {10.1016/j.commatsci.2017.01.017},\n url = {https://doi.org/10.1016/j.commatsci.2017.01.017},\n year = {2017},\n month = {aug},\n publisher = {Elsevier {BV}},\n volume = {136},\n pages = {S1--S828},\n author = {Michael J. Mehl and David Hicks and Cormac Toher and Ohad Levy and Robert M. Hanson and Gus Hart and Stefano Curtarolo},\n title = {The {AFLOW} Library of Crystallographic Prototypes: Part 1},\n journal = {Computational Materials Science}\n}\n\n", "remarks": ["Parsed from AFLOW Library of Crystallographic Prototypes for purposes of structure matching. 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Jauch and A. J. Schultz and G. Heger\",\n title = \" Single-crystal time-of-flight neutron diffraction of Cr$_3$Si and MnF$_2$ comparison with monochromatic-beam techniques\",\n journal = \" Journal of Applied Crystallography\",\n volume = \"20\",\n year = \"1987\",\n page_first = \"117\",\n page_last = \"119\",\n pages = \"117--119\"\n}\n\n\n@article{Mehl2017,\n doi = {10.1016/j.commatsci.2017.01.017},\n url = {https://doi.org/10.1016/j.commatsci.2017.01.017},\n year = {2017},\n month = {aug},\n publisher = {Elsevier {BV}},\n volume = {136},\n pages = {S1--S828},\n author = {Michael J. Mehl and David Hicks and Cormac Toher and Ohad Levy and Robert M. Hanson and Gus Hart and Stefano Curtarolo},\n title = {The {AFLOW} Library of Crystallographic Prototypes: Part 1},\n journal = {Computational Materials Science}\n}\n\n", "remarks": ["Parsed from AFLOW Library of Crystallographic Prototypes for purposes of structure matching. 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Palazzi and S. Jaulmes and P. Laruelle\",\n title = \" Structure cristalline de K$_3$AsS$_4$\",\n journal = \" Acta Crystallographica B\",\n volume = \"30\",\n year = \"1974\",\n page_first = \"2378\",\n page_last = \"2381\",\n pages = \"2378--2381\"\n}\n\n\n@article{Mehl2017,\n doi = {10.1016/j.commatsci.2017.01.017},\n url = {https://doi.org/10.1016/j.commatsci.2017.01.017},\n year = {2017},\n month = {aug},\n publisher = {Elsevier {BV}},\n volume = {136},\n pages = {S1--S828},\n author = {Michael J. Mehl and David Hicks and Cormac Toher and Ohad Levy and Robert M. Hanson and Gus Hart and Stefano Curtarolo},\n title = {The {AFLOW} Library of Crystallographic Prototypes: Part 1},\n journal = {Computational Materials Science}\n}\n\n", "remarks": ["Parsed from AFLOW Library of Crystallographic Prototypes for purposes of structure matching. 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Rajamani and C. T. Prewitt\",\n title = \" The Crystal Structure of Millerite\",\n journal = \" Canadian Mineralogist\",\n volume = \"12\",\n year = \"1974\",\n page_first = \"253\",\n page_last = \"257\",\n pages = \"253--257\"\n}\n\n\n@article{Mehl2017,\n doi = {10.1016/j.commatsci.2017.01.017},\n url = {https://doi.org/10.1016/j.commatsci.2017.01.017},\n year = {2017},\n month = {aug},\n publisher = {Elsevier {BV}},\n volume = {136},\n pages = {S1--S828},\n author = {Michael J. Mehl and David Hicks and Cormac Toher and Ohad Levy and Robert M. Hanson and Gus Hart and Stefano Curtarolo},\n title = {The {AFLOW} Library of Crystallographic Prototypes: Part 1},\n journal = {Computational Materials Science}\n}\n\n", "remarks": ["Parsed from AFLOW Library of Crystallographic Prototypes for purposes of structure matching. 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Ohba and Y. Kitano and Y. Komura\",\n title = \" The charge-density study of the Laves phases, MgZn$_2$ and MgCu$_2$\",\n journal = \" Acta Crystallographic C\",\n volume = \"40\",\n year = \"1984\",\n page_first = \"1\",\n page_last = \"5\",\n pages = \"1--5\"\n}\n\n\n@article{Mehl2017,\n doi = {10.1016/j.commatsci.2017.01.017},\n url = {https://doi.org/10.1016/j.commatsci.2017.01.017},\n year = {2017},\n month = {aug},\n publisher = {Elsevier {BV}},\n volume = {136},\n pages = {S1--S828},\n author = {Michael J. Mehl and David Hicks and Cormac Toher and Ohad Levy and Robert M. Hanson and Gus Hart and Stefano Curtarolo},\n title = {The {AFLOW} Library of Crystallographic Prototypes: Part 1},\n journal = {Computational Materials Science}\n}\n\n", "remarks": ["Parsed from AFLOW Library of Crystallographic Prototypes for purposes of structure matching. 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J. Meier and R. B. Helmholdt\",\n title = \" Neutron-diffraction study of $\\alpha$- and $\\beta$-oxygen\",\n journal = \" Physical Review B\",\n volume = \"29\",\n year = \"1984\",\n page_first = \"1387\",\n page_last = \"1393\",\n pages = \"1387--1393\"\n}\n\n\n@article{Mehl2017,\n doi = {10.1016/j.commatsci.2017.01.017},\n url = {https://doi.org/10.1016/j.commatsci.2017.01.017},\n year = {2017},\n month = {aug},\n publisher = {Elsevier {BV}},\n volume = {136},\n pages = {S1--S828},\n author = {Michael J. Mehl and David Hicks and Cormac Toher and Ohad Levy and Robert M. Hanson and Gus Hart and Stefano Curtarolo},\n title = {The {AFLOW} Library of Crystallographic Prototypes: Part 1},\n journal = {Computational Materials Science}\n}\n\n", "remarks": ["Parsed from AFLOW Library of Crystallographic Prototypes for purposes of structure matching. 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Prewitt\",\n title = \" High-pressure crystal structure and compressibility of coesite\",\n journal = \" American Mineralogist\",\n volume = \"66\",\n year = \"1981\",\n page_first = \"324\",\n page_last = \"333\",\n pages = \"324--333\"\n}\n\n\n@article{Mehl2017,\n doi = {10.1016/j.commatsci.2017.01.017},\n url = {https://doi.org/10.1016/j.commatsci.2017.01.017},\n year = {2017},\n month = {aug},\n publisher = {Elsevier {BV}},\n volume = {136},\n pages = {S1--S828},\n author = {Michael J. Mehl and David Hicks and Cormac Toher and Ohad Levy and Robert M. Hanson and Gus Hart and Stefano Curtarolo},\n title = {The {AFLOW} Library of Crystallographic Prototypes: Part 1},\n journal = {Computational Materials Science}\n}\n\n", "remarks": ["Parsed from AFLOW Library of Crystallographic Prototypes for purposes of structure matching. 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W. von Batchelder and R. F. Raeuchle\",\n title = \" The tetragonal MBe$_{12}$ structure of silver, palladium, platinum and gold\",\n journal = \" Acta Crystallographica\",\n volume = \"11\",\n year = \"1958\",\n page_first = \"122\",\n page_last = \"122\",\n pages = \"122--122\"\n}\n\n\n@article{Mehl2017,\n doi = {10.1016/j.commatsci.2017.01.017},\n url = {https://doi.org/10.1016/j.commatsci.2017.01.017},\n year = {2017},\n month = {aug},\n publisher = {Elsevier {BV}},\n volume = {136},\n pages = {S1--S828},\n author = {Michael J. Mehl and David Hicks and Cormac Toher and Ohad Levy and Robert M. Hanson and Gus Hart and Stefano Curtarolo},\n title = {The {AFLOW} Library of Crystallographic Prototypes: Part 1},\n journal = {Computational Materials Science}\n}\n\n", "remarks": ["Parsed from AFLOW Library of Crystallographic Prototypes for purposes of structure matching. 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Cosca and Donald R. Peacor\",\n title = \" Chemistry and structure of esseneite (CaFe$^{3+}$AlSiO$_6$), a new pyroxene produced by pyrometamorphism\",\n journal = \" American Mineralogist\",\n volume = \"72\",\n year = \"1987\",\n page_first = \"148\",\n page_last = \"156\",\n pages = \"148--156\"\n}\n\n\n@article{Mehl2017,\n doi = {10.1016/j.commatsci.2017.01.017},\n url = {https://doi.org/10.1016/j.commatsci.2017.01.017},\n year = {2017},\n month = {aug},\n publisher = {Elsevier {BV}},\n volume = {136},\n pages = {S1--S828},\n author = {Michael J. Mehl and David Hicks and Cormac Toher and Ohad Levy and Robert M. Hanson and Gus Hart and Stefano Curtarolo},\n title = {The {AFLOW} Library of Crystallographic Prototypes: Part 1},\n journal = {Computational Materials Science}\n}\n\n", "remarks": ["Parsed from AFLOW Library of Crystallographic Prototypes for purposes of structure matching. Please cite appropriate AFLOW publication."], "history": [], "created_at": {"@module": "datetime", "@class": "datetime", "string": "2018-01-17 19:44:11.642340"}}}, "tags": {"pearson": "mC40", "aflow": "ABC6D2_mC40_15_e_e_3f_f", "strukturbericht": "None", "mineral": "Esseneite"}}, {"snl": {"@module": "pymatgen.util.provenance", "@class": "StructureNL", "charge": null, "lattice": {"matrix": [[-2.73155, -2.73155, 0.0], [-2.73155, 0.0, -2.73155], [0.0, -2.73155, -2.73155]], "a": 3.8629950563002278, "b": 3.8629950563002278, "c": 3.8629950563002278, "alpha": 60.00000000000001, "beta": 60.00000000000001, "gamma": 60.00000000000001, "volume": 40.76218533039775}, "sites": [{"species": [{"element": "Ca", "occu": 1.0}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Ca"}, {"species": [{"element": "F", "occu": 1.0}], "abc": [0.75, 0.7499999999999999, 0.75], "xyz": [-4.097325, -4.097325, -4.097325], "label": "F"}, {"species": [{"element": "F", "occu": 1.0}], "abc": [0.25, 0.25, 0.25], "xyz": [-1.365775, -1.365775, -1.365775], "label": "F"}], "about": {"authors": [{"name": "AFLOW Library of Crystallographic Prototypes", "email": ""}], "projects": [], "references": "@article{reference0,\n author = \"S. Speziale and T. S. Duffy\",\n title = \" Single-crystal elastic constants of fluorite (CaF$_2$) to 9.3 GPa\",\n journal = \" Physics and Chemistry of Minerals\",\n volume = \"29\",\n year = \"2002\",\n page_first = \"465\",\n page_last = \"472\",\n pages = \"465--472\"\n}\n\n\n@article{Mehl2017,\n doi = {10.1016/j.commatsci.2017.01.017},\n url = {https://doi.org/10.1016/j.commatsci.2017.01.017},\n year = {2017},\n month = {aug},\n publisher = {Elsevier {BV}},\n volume = {136},\n pages = {S1--S828},\n author = {Michael J. Mehl and David Hicks and Cormac Toher and Ohad Levy and Robert M. Hanson and Gus Hart and Stefano Curtarolo},\n title = {The {AFLOW} Library of Crystallographic Prototypes: Part 1},\n journal = {Computational Materials Science}\n}\n\n", "remarks": ["Parsed from AFLOW Library of Crystallographic Prototypes for purposes of structure matching. 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Adams and Michael O'Keeffe and Alexander A. Demkov and Otto F. Sankey and Yin-Min Huang\",\n title = \" Wide-band-gap Si in open fourfold-coordinated clathrate structures\",\n journal = \" Physical Review B\",\n volume = \"49\",\n year = \"1994\",\n page_first = \"8048\",\n page_last = \"8053\",\n pages = \"8048--8053\"\n}\n\n\n@article{Mehl2017,\n doi = {10.1016/j.commatsci.2017.01.017},\n url = {https://doi.org/10.1016/j.commatsci.2017.01.017},\n year = {2017},\n month = {aug},\n publisher = {Elsevier {BV}},\n volume = {136},\n pages = {S1--S828},\n author = {Michael J. Mehl and David Hicks and Cormac Toher and Ohad Levy and Robert M. Hanson and Gus Hart and Stefano Curtarolo},\n title = {The {AFLOW} Library of Crystallographic Prototypes: Part 1},\n journal = {Computational Materials Science}\n}\n\n", "remarks": ["Parsed from AFLOW Library of Crystallographic Prototypes for purposes of structure matching. 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Ellner and K. J. Best and H. Jacobi and K. Schubert\",\n title = \" Struktur von Ni$_3$Ga$_4$\",\n journal = \" Journal of the Less-Common Metals\",\n volume = \"19\",\n year = \"1969\",\n page_first = \"294\",\n page_last = \"296\",\n pages = \"294--296\"\n}\n\n\n@article{Mehl2017,\n doi = {10.1016/j.commatsci.2017.01.017},\n url = {https://doi.org/10.1016/j.commatsci.2017.01.017},\n year = {2017},\n month = {aug},\n publisher = {Elsevier {BV}},\n volume = {136},\n pages = {S1--S828},\n author = {Michael J. Mehl and David Hicks and Cormac Toher and Ohad Levy and Robert M. Hanson and Gus Hart and Stefano Curtarolo},\n title = {The {AFLOW} Library of Crystallographic Prototypes: Part 1},\n journal = {Computational Materials Science}\n}\n\n", "remarks": ["Parsed from AFLOW Library of Crystallographic Prototypes for purposes of structure matching. 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Komura and K. Tokunaga\",\n title = \" Structural studies of stacking variants in Mg-base Friauf-Laves phases\",\n journal = \" Acta Crystallographica B\",\n volume = \"36\",\n year = \"1980\",\n page_first = \"1548\",\n page_last = \"1554\",\n pages = \"1548--1554\"\n}\n\n\n@article{Mehl2017,\n doi = {10.1016/j.commatsci.2017.01.017},\n url = {https://doi.org/10.1016/j.commatsci.2017.01.017},\n year = {2017},\n month = {aug},\n publisher = {Elsevier {BV}},\n volume = {136},\n pages = {S1--S828},\n author = {Michael J. Mehl and David Hicks and Cormac Toher and Ohad Levy and Robert M. Hanson and Gus Hart and Stefano Curtarolo},\n title = {The {AFLOW} Library of Crystallographic Prototypes: Part 1},\n journal = {Computational Materials Science}\n}\n\n", "remarks": ["Parsed from AFLOW Library of Crystallographic Prototypes for purposes of structure matching. 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Iandelli\",\n title = \" MX$_2$-Verbindungen der Erdalkali- und Seltenen Erdmetalle mit Gallium, Indium und Thallium\",\n journal = { Zeitschrift f\\\"{u}r anorganische und allgemeine Chemie},\n volume = \"330\",\n year = \"1964\",\n page_first = \"221\",\n page_last = \"232\",\n pages = \"221--232\"\n}\n\n\n@article{Mehl2017,\n doi = {10.1016/j.commatsci.2017.01.017},\n url = {https://doi.org/10.1016/j.commatsci.2017.01.017},\n year = {2017},\n month = {aug},\n publisher = {Elsevier {BV}},\n volume = {136},\n pages = {S1--S828},\n author = {Michael J. Mehl and David Hicks and Cormac Toher and Ohad Levy and Robert M. Hanson and Gus Hart and Stefano Curtarolo},\n title = {The {AFLOW} Library of Crystallographic Prototypes: Part 1},\n journal = {Computational Materials Science}\n}\n\n", "remarks": ["Parsed from AFLOW Library of Crystallographic Prototypes for purposes of structure matching. 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A. Rouault and P. Herpin and M. R. Fruchart\",\n title = \" Etude Cristallographique des Carbures Cr$_7$C$_3$ et Mn$_7$C$_3$\",\n journal = \" Annales de Chimie (Paris)\",\n volume = \"5\",\n year = \"1970\",\n page_first = \"461\",\n page_last = \"470\",\n pages = \"461--470\"\n}\n\n\n@article{Mehl2017,\n doi = {10.1016/j.commatsci.2017.01.017},\n url = {https://doi.org/10.1016/j.commatsci.2017.01.017},\n year = {2017},\n month = {aug},\n publisher = {Elsevier {BV}},\n volume = {136},\n pages = {S1--S828},\n author = {Michael J. Mehl and David Hicks and Cormac Toher and Ohad Levy and Robert M. Hanson and Gus Hart and Stefano Curtarolo},\n title = {The {AFLOW} Library of Crystallographic Prototypes: Part 1},\n journal = {Computational Materials Science}\n}\n\n", "remarks": ["Parsed from AFLOW Library of Crystallographic Prototypes for purposes of structure matching. Please cite appropriate AFLOW publication."], "history": [], "created_at": {"@module": "datetime", "@class": "datetime", "string": "2018-01-17 19:44:12.036385"}}}, "tags": {"pearson": "oP40", "aflow": "A3B7_oP40_62_cd_3c2d", "strukturbericht": "D10_1", "mineral": ""}}, {"snl": {"@module": "pymatgen.util.provenance", "@class": "StructureNL", "charge": null, "lattice": {"matrix": [[-0.0, -0.0, 3.89], [7.3364, -0.0, 4.492249388632321e-16], [-4.492249388632321e-16, 7.3364, 4.492249388632321e-16]], "a": 3.89, "b": 7.3364, "c": 7.3364, "alpha": 90.0, "beta": 90.0, "gamma": 90.0, "volume": 209.37055569440003}, "sites": [{"species": [{"element": "U", "occu": 1.0}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "U"}, {"species": [{"element": "U", "occu": 1.0}], "abc": [1.8942859909597176e-32, 0.49999999999999994, 0.49999999999999994], "xyz": [3.6681999999999992, 3.6681999999999997, 4.492249388632321e-16], "label": "U"}, {"species": [{"element": "U", "occu": 1.0}], "abc": [0.5, 0.18210000000000004, 0.6820999999999999], "xyz": [1.3359584400000002, 5.004158439999999, 1.9450000000000003], "label": "U"}, {"species": [{"element": "U", "occu": 1.0}], "abc": [0.5, 0.6820999999999999, 0.8178999999999998], "xyz": [5.004158439999999, 6.000441559999999, 1.9450000000000007], "label": "U"}, {"species": [{"element": "U", "occu": 1.0}], "abc": [0.5, 0.31789999999999996, 0.18210000000000012], "xyz": [2.33224156, 1.3359584400000009, 1.9450000000000003], "label": "U"}, {"species": [{"element": "U", "occu": 1.0}], "abc": [0.5, 0.8178999999999998, 0.31789999999999996], "xyz": [6.000441559999999, 2.33224156, 1.9450000000000007], "label": "U"}, {"species": [{"element": "Si", "occu": 1.0}], "abc": [3.456403250135232e-32, 0.38409999999999994, 0.8841], "xyz": [2.817911239999999, 6.4861112400000005, 5.697070674663511e-16], "label": "Si"}, {"species": [{"element": "Si", "occu": 1.0}], "abc": [1.0, 0.8841, 0.6159], "xyz": [6.4861112400000005, 4.51848876, 3.890000000000001], "label": "Si"}, {"species": [{"element": "Si", "occu": 1.0}], "abc": [9.81997871594219e-33, 0.1159, 0.38410000000000005], "xyz": [0.8502887599999999, 2.8179112400000004, 2.246124694316161e-16], "label": "Si"}, {"species": [{"element": "Si", "occu": 1.0}], "abc": [1.5996187723063943e-32, 0.6159, 0.1159], "xyz": [4.51848876, 0.8502887600000001, 3.2874281026011335e-16], "label": "Si"}], "about": {"authors": [{"name": "AFLOW Library of Crystallographic Prototypes", "email": ""}], "projects": [], "references": "@article{reference0,\n author = {K. Remschnig and T. Le Bihan and H. No\\\"{e}l and P. Rogl},\n title = \" Structural chemistry and magnetic behavior of binary uranium silicides\",\n journal = \" Journal of Solid State Chemistry\",\n volume = \"97\",\n year = \"1992\",\n page_first = \"391\",\n page_last = \"399\",\n pages = \"391--399\"\n}\n\n\n@article{Mehl2017,\n doi = {10.1016/j.commatsci.2017.01.017},\n url = {https://doi.org/10.1016/j.commatsci.2017.01.017},\n year = {2017},\n month = {aug},\n publisher = {Elsevier {BV}},\n volume = {136},\n pages = {S1--S828},\n author = {Michael J. Mehl and David Hicks and Cormac Toher and Ohad Levy and Robert M. Hanson and Gus Hart and Stefano Curtarolo},\n title = {The {AFLOW} Library of Crystallographic Prototypes: Part 1},\n journal = {Computational Materials Science}\n}\n\n", "remarks": ["Parsed from AFLOW Library of Crystallographic Prototypes for purposes of structure matching. 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H. Zachariasen\",\n title = \" The Crystal Lattice of Germano Sulphide, GeS\",\n journal = \" Physical Review\",\n volume = \"40\",\n year = \"1932\",\n page_first = \"917\",\n page_last = \"922\",\n pages = \"917--922\"\n}\n\n\n@article{Mehl2017,\n doi = {10.1016/j.commatsci.2017.01.017},\n url = {https://doi.org/10.1016/j.commatsci.2017.01.017},\n year = {2017},\n month = {aug},\n publisher = {Elsevier {BV}},\n volume = {136},\n pages = {S1--S828},\n author = {Michael J. Mehl and David Hicks and Cormac Toher and Ohad Levy and Robert M. Hanson and Gus Hart and Stefano Curtarolo},\n title = {The {AFLOW} Library of Crystallographic Prototypes: Part 1},\n journal = {Computational Materials Science}\n}\n\n", "remarks": ["Parsed from AFLOW Library of Crystallographic Prototypes for purposes of structure matching. 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Norrby\",\n title = \" A refinement of the crystal structure of copper(II) oxide with a discussion of some exceptional e.s.d.'s\",\n journal = \" Acta Crystallographica B\",\n volume = \"26\",\n year = \"1970\",\n page_first = \"8\",\n page_last = \"15\",\n pages = \"8--15\"\n}\n\n\n@article{Mehl2017,\n doi = {10.1016/j.commatsci.2017.01.017},\n url = {https://doi.org/10.1016/j.commatsci.2017.01.017},\n year = {2017},\n month = {aug},\n publisher = {Elsevier {BV}},\n volume = {136},\n pages = {S1--S828},\n author = {Michael J. Mehl and David Hicks and Cormac Toher and Ohad Levy and Robert M. Hanson and Gus Hart and Stefano Curtarolo},\n title = {The {AFLOW} Library of Crystallographic Prototypes: Part 1},\n journal = {Computational Materials Science}\n}\n\n", "remarks": ["Parsed from AFLOW Library of Crystallographic Prototypes for purposes of structure matching. 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P. Meagher and G. A. Lager\",\n title = \" Polyhedral thermal expansion in the TiO$_2$ polymorphs; refinement of the crystal structures of rutile and brookite at high temperature\",\n journal = \" Canadian Mineralogist\",\n volume = \"17\",\n year = \"1979\",\n page_first = \"77\",\n page_last = \"85\",\n pages = \"77--85\"\n}\n\n\n@article{Mehl2017,\n doi = {10.1016/j.commatsci.2017.01.017},\n url = {https://doi.org/10.1016/j.commatsci.2017.01.017},\n year = {2017},\n month = {aug},\n publisher = {Elsevier {BV}},\n volume = {136},\n pages = {S1--S828},\n author = {Michael J. Mehl and David Hicks and Cormac Toher and Ohad Levy and Robert M. Hanson and Gus Hart and Stefano Curtarolo},\n title = {The {AFLOW} Library of Crystallographic Prototypes: Part 1},\n journal = {Computational Materials Science}\n}\n\n", "remarks": ["Parsed from AFLOW Library of Crystallographic Prototypes for purposes of structure matching. 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J. Bradley and A. Taylor\",\n title = \" The crystal structures of Ni$_2$Al$_3$ and NiAl$_3$\",\n journal = \" Philosophical Magazine\",\n volume = \"23\",\n year = \"1937\",\n page_first = \"1049\",\n page_last = \"1067\",\n pages = \"1049--1067\"\n}\n\n\n@article{Mehl2017,\n doi = {10.1016/j.commatsci.2017.01.017},\n url = {https://doi.org/10.1016/j.commatsci.2017.01.017},\n year = {2017},\n month = {aug},\n publisher = {Elsevier {BV}},\n volume = {136},\n pages = {S1--S828},\n author = {Michael J. Mehl and David Hicks and Cormac Toher and Ohad Levy and Robert M. Hanson and Gus Hart and Stefano Curtarolo},\n title = {The {AFLOW} Library of Crystallographic Prototypes: Part 1},\n journal = {Computational Materials Science}\n}\n\n", "remarks": ["Parsed from AFLOW Library of Crystallographic Prototypes for purposes of structure matching. 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Nowotny and W. Sibert\",\n title = { Tern\\\"{a}re Valenzverbindungen in den Systemen Kupfer(Silber)-Arsen(Antimon,Wismut)-Magnesium},\n journal = { Zeitschrift f\\\"{u}r Metallkunde},\n volume = \"33\",\n year = \"1941\",\n page_first = \"391\",\n page_last = \"394\",\n pages = \"391--394\"\n}\n\n\n@article{Mehl2017,\n doi = {10.1016/j.commatsci.2017.01.017},\n url = {https://doi.org/10.1016/j.commatsci.2017.01.017},\n year = {2017},\n month = {aug},\n publisher = {Elsevier {BV}},\n volume = {136},\n pages = {S1--S828},\n author = {Michael J. Mehl and David Hicks and Cormac Toher and Ohad Levy and Robert M. Hanson and Gus Hart and Stefano Curtarolo},\n title = {The {AFLOW} Library of Crystallographic Prototypes: Part 1},\n journal = {Computational Materials Science}\n}\n\n", "remarks": ["Parsed from AFLOW Library of Crystallographic Prototypes for purposes of structure matching. 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Hirotsu and S. Nagakura\",\n title = \" Crystal structure and morphology of the carbide precipitated from martensitic high carbon steel during the first stage of tempering\",\n journal = \" Acta Metallurgica\",\n volume = \"20\",\n year = \"1972\",\n page_first = \"645\",\n page_last = \"655\",\n pages = \"645--655\"\n}\n\n\n@article{Mehl2017,\n doi = {10.1016/j.commatsci.2017.01.017},\n url = {https://doi.org/10.1016/j.commatsci.2017.01.017},\n year = {2017},\n month = {aug},\n publisher = {Elsevier {BV}},\n volume = {136},\n pages = {S1--S828},\n author = {Michael J. Mehl and David Hicks and Cormac Toher and Ohad Levy and Robert M. Hanson and Gus Hart and Stefano Curtarolo},\n title = {The {AFLOW} Library of Crystallographic Prototypes: Part 1},\n journal = {Computational Materials Science}\n}\n\n", "remarks": ["Parsed from AFLOW Library of Crystallographic Prototypes for purposes of structure matching. 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W. Hart\",\n title = \" Verifying predictions of the L1$_3$ crystal structure in Cd-Pt and Pd-Pt by exhaustive enumeration\",\n journal = \" Physical Review B\",\n volume = \"80\",\n year = \"2009\",\n page_first = \"014106\",\n page_last = \"014106\",\n pages = \"014106--014106\"\n}\n\n\n@article{Mehl2017,\n doi = {10.1016/j.commatsci.2017.01.017},\n url = {https://doi.org/10.1016/j.commatsci.2017.01.017},\n year = {2017},\n month = {aug},\n publisher = {Elsevier {BV}},\n volume = {136},\n pages = {S1--S828},\n author = {Michael J. Mehl and David Hicks and Cormac Toher and Ohad Levy and Robert M. Hanson and Gus Hart and Stefano Curtarolo},\n title = {The {AFLOW} Library of Crystallographic Prototypes: Part 1},\n journal = {Computational Materials Science}\n}\n\n", "remarks": ["Parsed from AFLOW Library of Crystallographic Prototypes for purposes of structure matching. 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Pearson\",\n title = \" Crystal Structure of Sb$_2$Tl$_7$\",\n journal = \" Canadian Journal of Chemistry\",\n volume = \"55\",\n year = \"1977\",\n page_first = \"1120\",\n page_last = \"1122\",\n pages = \"1120--1122\"\n}\n\n\n@article{Mehl2017,\n doi = {10.1016/j.commatsci.2017.01.017},\n url = {https://doi.org/10.1016/j.commatsci.2017.01.017},\n year = {2017},\n month = {aug},\n publisher = {Elsevier {BV}},\n volume = {136},\n pages = {S1--S828},\n author = {Michael J. Mehl and David Hicks and Cormac Toher and Ohad Levy and Robert M. Hanson and Gus Hart and Stefano Curtarolo},\n title = {The {AFLOW} Library of Crystallographic Prototypes: Part 1},\n journal = {Computational Materials Science}\n}\n\n", "remarks": ["Parsed from AFLOW Library of Crystallographic Prototypes for purposes of structure matching. 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L. Hoard\",\n title = \" The Crystal Structure of Potassium Silver Cyanide\",\n journal = { Zeitschrift f\\\"{u}r Kristallographie - Crystalline Materials},\n volume = \"84\",\n year = \"1933\",\n page_first = \"231\",\n page_last = \"255\",\n pages = \"231--255\"\n}\n\n\n@article{Mehl2017,\n doi = {10.1016/j.commatsci.2017.01.017},\n url = {https://doi.org/10.1016/j.commatsci.2017.01.017},\n year = {2017},\n month = {aug},\n publisher = {Elsevier {BV}},\n volume = {136},\n pages = {S1--S828},\n author = {Michael J. Mehl and David Hicks and Cormac Toher and Ohad Levy and Robert M. Hanson and Gus Hart and Stefano Curtarolo},\n title = {The {AFLOW} Library of Crystallographic Prototypes: Part 1},\n journal = {Computational Materials Science}\n}\n\n", "remarks": ["Parsed from AFLOW Library of Crystallographic Prototypes for purposes of structure matching. 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Schubert and S. Bhan and W. Burkhardt and R. Gohle and H. G. Meissner and M. P\\\"{o}tzschke and E. Stolz},\n title = \" Einige strukturelle Ergebnisse an metallischen Phasen (5)\",\n journal = \" Naturwissenschaften\",\n volume = \"47\",\n year = \"1960\",\n page_first = \"303\",\n page_last = \"303\",\n pages = \"303--303\"\n}\n\n\n@article{Mehl2017,\n doi = {10.1016/j.commatsci.2017.01.017},\n url = {https://doi.org/10.1016/j.commatsci.2017.01.017},\n year = {2017},\n month = {aug},\n publisher = {Elsevier {BV}},\n volume = {136},\n pages = {S1--S828},\n author = {Michael J. Mehl and David Hicks and Cormac Toher and Ohad Levy and Robert M. Hanson and Gus Hart and Stefano Curtarolo},\n title = {The {AFLOW} Library of Crystallographic Prototypes: Part 1},\n journal = {Computational Materials Science}\n}\n\n", "remarks": ["Parsed from AFLOW Library of Crystallographic Prototypes for purposes of structure matching. 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Fleischer\",\n title = \" X-Ray Structure Determination of Cubane\",\n journal = \" Journal of the American Chemical Society\",\n volume = \"86\",\n year = \"1964\",\n page_first = \"3889\",\n page_last = \"3890\",\n pages = \"3889--3890\"\n}\n\n\n@article{Mehl2017,\n doi = {10.1016/j.commatsci.2017.01.017},\n url = {https://doi.org/10.1016/j.commatsci.2017.01.017},\n year = {2017},\n month = {aug},\n publisher = {Elsevier {BV}},\n volume = {136},\n pages = {S1--S828},\n author = {Michael J. Mehl and David Hicks and Cormac Toher and Ohad Levy and Robert M. Hanson and Gus Hart and Stefano Curtarolo},\n title = {The {AFLOW} Library of Crystallographic Prototypes: Part 1},\n journal = {Computational Materials Science}\n}\n\n", "remarks": ["Parsed from AFLOW Library of Crystallographic Prototypes for purposes of structure matching. 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Brauer and E. Zintl\",\n title = \" Konstitution von Phosphiden, Arseniden, Antimoniden und Wismutiden des Lithiums, Natriums und Kaliums\",\n journal = { Zeitschrift f\\\"{u}r Physikalische Chemie},\n volume = \"37B\",\n year = \"1937\",\n page_first = \"323\",\n page_last = \"352\",\n pages = \"323--352\"\n}\n\n\n@article{Mehl2017,\n doi = {10.1016/j.commatsci.2017.01.017},\n url = {https://doi.org/10.1016/j.commatsci.2017.01.017},\n year = {2017},\n month = {aug},\n publisher = {Elsevier {BV}},\n volume = {136},\n pages = {S1--S828},\n author = {Michael J. Mehl and David Hicks and Cormac Toher and Ohad Levy and Robert M. Hanson and Gus Hart and Stefano Curtarolo},\n title = {The {AFLOW} Library of Crystallographic Prototypes: Part 1},\n journal = {Computational Materials Science}\n}\n\n", "remarks": ["Parsed from AFLOW Library of Crystallographic Prototypes for purposes of structure matching. 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Pertlik\",\n title = { Kristallchemie nat\\\"{u}rlicher Telluride I: Verfeinerung der Kristallstruktur des Sylvanits, AuAgTe$_4$},\n journal = \" Tschermaks mineralogische und petrographische Mitteilungen\",\n volume = \"33\",\n year = \"1984\",\n page_first = \"203\",\n page_last = \"212\",\n pages = \"203--212\"\n}\n\n\n@article{Mehl2017,\n doi = {10.1016/j.commatsci.2017.01.017},\n url = {https://doi.org/10.1016/j.commatsci.2017.01.017},\n year = {2017},\n month = {aug},\n publisher = {Elsevier {BV}},\n volume = {136},\n pages = {S1--S828},\n author = {Michael J. Mehl and David Hicks and Cormac Toher and Ohad Levy and Robert M. Hanson and Gus Hart and Stefano Curtarolo},\n title = {The {AFLOW} Library of Crystallographic Prototypes: Part 1},\n journal = {Computational Materials Science}\n}\n\n", "remarks": ["Parsed from AFLOW Library of Crystallographic Prototypes for purposes of structure matching. 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Petrillo and O. Moze and R. M. Ibberson\",\n title = \" High resolution neutron powder diffraction investigation of the low temperature crystal structure of molecular iodine (I$_2$)\",\n journal = \" Physica B\",\n volume = \"180-181\",\n year = \"1992\",\n page_first = \"639\",\n page_last = \"641\",\n pages = \"639--641\"\n}\n\n\n@article{Mehl2017,\n doi = {10.1016/j.commatsci.2017.01.017},\n url = {https://doi.org/10.1016/j.commatsci.2017.01.017},\n year = {2017},\n month = {aug},\n publisher = {Elsevier {BV}},\n volume = {136},\n pages = {S1--S828},\n author = {Michael J. Mehl and David Hicks and Cormac Toher and Ohad Levy and Robert M. Hanson and Gus Hart and Stefano Curtarolo},\n title = {The {AFLOW} Library of Crystallographic Prototypes: Part 1},\n journal = {Computational Materials Science}\n}\n\n", "remarks": ["Parsed from AFLOW Library of Crystallographic Prototypes for purposes of structure matching. 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Geist and R. Kloss and H. Follner\",\n title = \" Verfeinerung des $\\beta$-rhomboedrischen Bors\",\n journal = \" Acta Crystallographica B\",\n volume = \"26\",\n year = \"1970\",\n page_first = \"1800\",\n page_last = \"1802\",\n pages = \"1800--1802\"\n}\n\n\n@article{Mehl2017,\n doi = {10.1016/j.commatsci.2017.01.017},\n url = {https://doi.org/10.1016/j.commatsci.2017.01.017},\n year = {2017},\n month = {aug},\n publisher = {Elsevier {BV}},\n volume = {136},\n pages = {S1--S828},\n author = {Michael J. Mehl and David Hicks and Cormac Toher and Ohad Levy and Robert M. Hanson and Gus Hart and Stefano Curtarolo},\n title = {The {AFLOW} Library of Crystallographic Prototypes: Part 1},\n journal = {Computational Materials Science}\n}\n\n", "remarks": ["Parsed from AFLOW Library of Crystallographic Prototypes for purposes of structure matching. 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Yadav and R. P. Ram and S Bhan\",\n title = \" On the Thallium-Selenium-Tellurium System\",\n journal = { Zeitschrift f\\\"{u}r Metallkunde},\n volume = \"67\",\n year = \"1976\",\n page_first = \"173\",\n page_last = \"177\",\n pages = \"173--177\"\n}\n\n\n@article{Mehl2017,\n doi = {10.1016/j.commatsci.2017.01.017},\n url = {https://doi.org/10.1016/j.commatsci.2017.01.017},\n year = {2017},\n month = {aug},\n publisher = {Elsevier {BV}},\n volume = {136},\n pages = {S1--S828},\n author = {Michael J. Mehl and David Hicks and Cormac Toher and Ohad Levy and Robert M. Hanson and Gus Hart and Stefano Curtarolo},\n title = {The {AFLOW} Library of Crystallographic Prototypes: Part 1},\n journal = {Computational Materials Science}\n}\n\n", "remarks": ["Parsed from AFLOW Library of Crystallographic Prototypes for purposes of structure matching. 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Mehl and David Hicks and Cormac Toher and Ohad Levy and Robert M. Hanson and Gus Hart and Stefano Curtarolo},\n title = {The {AFLOW} Library of Crystallographic Prototypes: Part 1},\n journal = {Computational Materials Science}\n}\n\n", "remarks": ["Parsed from AFLOW Library of Crystallographic Prototypes for purposes of structure matching. 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G. Cotter and J. A. Kohn and R. A. Potter\",\n title = \" Physical and X-Ray Study of the Disilicides of Titanium, Zirconium, and Hafnium\",\n journal = \" Journal of the American Ceramic Society\",\n volume = \"39\",\n year = \"1956\",\n page_first = \"11\",\n page_last = \"12\",\n pages = \"11--12\"\n}\n\n\n@article{Mehl2017,\n doi = {10.1016/j.commatsci.2017.01.017},\n url = {https://doi.org/10.1016/j.commatsci.2017.01.017},\n year = {2017},\n month = {aug},\n publisher = {Elsevier {BV}},\n volume = {136},\n pages = {S1--S828},\n author = {Michael J. Mehl and David Hicks and Cormac Toher and Ohad Levy and Robert M. Hanson and Gus Hart and Stefano Curtarolo},\n title = {The {AFLOW} Library of Crystallographic Prototypes: Part 1},\n journal = {Computational Materials Science}\n}\n\n", "remarks": ["Parsed from AFLOW Library of Crystallographic Prototypes for purposes of structure matching. 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Kuriyama and S. Saito and K. Iwamura\",\n title = \" Ultrasonic study on the elastic moduli of the NaTl (B32) structure\",\n journal = \" Journal of Physics and Chemistry of Solids\",\n volume = \"40\",\n year = \"1979\",\n page_first = \"457\",\n page_last = \"461\",\n pages = \"457--461\"\n}\n\n\n@article{Mehl2017,\n doi = {10.1016/j.commatsci.2017.01.017},\n url = {https://doi.org/10.1016/j.commatsci.2017.01.017},\n year = {2017},\n month = {aug},\n publisher = {Elsevier {BV}},\n volume = {136},\n pages = {S1--S828},\n author = {Michael J. Mehl and David Hicks and Cormac Toher and Ohad Levy and Robert M. Hanson and Gus Hart and Stefano Curtarolo},\n title = {The {AFLOW} Library of Crystallographic Prototypes: Part 1},\n journal = {Computational Materials Science}\n}\n\n", "remarks": ["Parsed from AFLOW Library of Crystallographic Prototypes for purposes of structure matching. 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Please cite appropriate AFLOW publication."], "history": [], "created_at": {"@module": "datetime", "@class": "datetime", "string": "2018-01-17 19:44:13.941127"}}}, "tags": {"pearson": "cI80", "aflow": "AB3C6_cI80_206_a_d_e", "strukturbericht": "D5_3", "mineral": "Bixbyite (Mn,Fe)2O4"}}, {"snl": {"@module": "pymatgen.util.provenance", "@class": "StructureNL", "charge": null, "lattice": {"matrix": [[-4.455499999999998, -4.4555, 4.455499999999999], [-4.4555, 4.4555, -4.4555], [4.4555, -4.4555, -4.4555]], "a": 7.717152373123131, "b": 7.717152373123133, "c": 7.717152373123133, "alpha": 109.47122063449069, "beta": 109.47122063449069, "gamma": 109.47122063449069, "volume": 353.79308101549987}, "sites": [{"species": [{"element": "Mn", "occu": 1.0}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Mn"}, {"species": [{"element": "Mn", "occu": 1.0}], "abc": [0.3642599999999998, 0.36426000000000003, 0.36426000000000014], "xyz": [-1.6229604299999982, -1.6229604299999996, 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A. Oberteuffer and James A. Ibers\",\n title = \" A refinement of the atomic and thermal parameters of $\\alpha$-manganese from a single crystal\",\n journal = \" Acta Crystallographica B\",\n volume = \"26\",\n year = \"1970\",\n page_first = \"1499\",\n page_last = \"1504\",\n pages = \"1499--1504\"\n}\n\n\n@article{Mehl2017,\n doi = {10.1016/j.commatsci.2017.01.017},\n url = {https://doi.org/10.1016/j.commatsci.2017.01.017},\n year = {2017},\n month = {aug},\n publisher = {Elsevier {BV}},\n volume = {136},\n pages = {S1--S828},\n author = {Michael J. Mehl and David Hicks and Cormac Toher and Ohad Levy and Robert M. Hanson and Gus Hart and Stefano Curtarolo},\n title = {The {AFLOW} Library of Crystallographic Prototypes: Part 1},\n journal = {Computational Materials Science}\n}\n\n", "remarks": ["Parsed from AFLOW Library of Crystallographic Prototypes for purposes of structure matching. 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B. Boisen, Jr. and G. V. Gibbs and M. S. T. Bukowinski\",\n title = \" Framework silica structures generated using simulated annealing with a potential energy function based on an H$_6$Si$_2$O$_7$ molecule\",\n journal = \" Physics and Chemistry of Minerals\",\n volume = \"21\",\n year = \"1994\",\n page_first = \"269\",\n page_last = \"284\",\n pages = \"269--284\"\n}\n\n\n@article{Mehl2017,\n doi = {10.1016/j.commatsci.2017.01.017},\n url = {https://doi.org/10.1016/j.commatsci.2017.01.017},\n year = {2017},\n month = {aug},\n publisher = {Elsevier {BV}},\n volume = {136},\n pages = {S1--S828},\n author = {Michael J. Mehl and David Hicks and Cormac Toher and Ohad Levy and Robert M. Hanson and Gus Hart and Stefano Curtarolo},\n title = {The {AFLOW} Library of Crystallographic Prototypes: Part 1},\n journal = {Computational Materials Science}\n}\n\n", "remarks": ["Parsed from AFLOW Library of Crystallographic Prototypes for purposes of structure matching. 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Crain and G. J. Ackland and S. J. Clark\",\n title = \" Exotic structures of tetrahedral semiconductors\",\n journal = \" Reports on Progress in Physics\",\n volume = \"58\",\n year = \"1995\",\n page_first = \"705\",\n page_last = \"754\",\n pages = \"705--754\"\n}\n\n\n@article{Mehl2017,\n doi = {10.1016/j.commatsci.2017.01.017},\n url = {https://doi.org/10.1016/j.commatsci.2017.01.017},\n year = {2017},\n month = {aug},\n publisher = {Elsevier {BV}},\n volume = {136},\n pages = {S1--S828},\n author = {Michael J. Mehl and David Hicks and Cormac Toher and Ohad Levy and Robert M. Hanson and Gus Hart and Stefano Curtarolo},\n title = {The {AFLOW} Library of Crystallographic Prototypes: Part 1},\n journal = {Computational Materials Science}\n}\n\n", "remarks": ["Parsed from AFLOW Library of Crystallographic Prototypes for purposes of structure matching. 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Hund and R. Fricke\",\n title = \" Der Kristallbau von $\\alpha$-BiF$_3$\",\n journal = { Zeitschrift f\\\"{u}r anorganische Chemie},\n volume = \"258\",\n year = \"1949\",\n page_first = \"198\",\n page_last = \"204\",\n pages = \"198--204\"\n}\n\n\n@article{Mehl2017,\n doi = {10.1016/j.commatsci.2017.01.017},\n url = {https://doi.org/10.1016/j.commatsci.2017.01.017},\n year = {2017},\n month = {aug},\n publisher = {Elsevier {BV}},\n volume = {136},\n pages = {S1--S828},\n author = {Michael J. Mehl and David Hicks and Cormac Toher and Ohad Levy and Robert M. Hanson and Gus Hart and Stefano Curtarolo},\n title = {The {AFLOW} Library of Crystallographic Prototypes: Part 1},\n journal = {Computational Materials Science}\n}\n\n", "remarks": ["Parsed from AFLOW Library of Crystallographic Prototypes for purposes of structure matching. 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A. Rollier and S. B. Hendricks and Louis R. Maxwell\",\n title = \" The Crystal Structure of Polonium by Electron Diffraction\",\n journal = \" Journal of Chemical Physics\",\n volume = \"4\",\n year = \"1936\",\n page_first = \"648\",\n page_last = \"652\",\n pages = \"648--652\"\n}\n\n\n@article{Mehl2017,\n doi = {10.1016/j.commatsci.2017.01.017},\n url = {https://doi.org/10.1016/j.commatsci.2017.01.017},\n year = {2017},\n month = {aug},\n publisher = {Elsevier {BV}},\n volume = {136},\n pages = {S1--S828},\n author = {Michael J. Mehl and David Hicks and Cormac Toher and Ohad Levy and Robert M. Hanson and Gus Hart and Stefano Curtarolo},\n title = {The {AFLOW} Library of Crystallographic Prototypes: Part 1},\n journal = {Computational Materials Science}\n}\n\n", "remarks": ["Parsed from AFLOW Library of Crystallographic Prototypes for purposes of structure matching. 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Adams and Michael O'Keeffe and Alexander A. Demkov and Otto F. Sankey and Yin-Min Huang\",\n title = \" Wide-band-gap Si in open fourfold-coordinated clathrate structures\",\n journal = \" Physical Review B\",\n volume = \"49\",\n year = \"1994\",\n page_first = \"8048\",\n page_last = \"8053\",\n pages = \"8048--8053\"\n}\n\n\n@article{Mehl2017,\n doi = {10.1016/j.commatsci.2017.01.017},\n url = {https://doi.org/10.1016/j.commatsci.2017.01.017},\n year = {2017},\n month = {aug},\n publisher = {Elsevier {BV}},\n volume = {136},\n pages = {S1--S828},\n author = {Michael J. Mehl and David Hicks and Cormac Toher and Ohad Levy and Robert M. Hanson and Gus Hart and Stefano Curtarolo},\n title = {The {AFLOW} Library of Crystallographic Prototypes: Part 1},\n journal = {Computational Materials Science}\n}\n\n", "remarks": ["Parsed from AFLOW Library of Crystallographic Prototypes for purposes of structure matching. 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Dollase and Werner H. Baur\",\n title = \" The superstructure of meteoritic low tridymite solved by computer simulation\",\n journal = \" American Mineralogist\",\n volume = \"61\",\n year = \"1976\",\n page_first = \"971\",\n page_last = \"978\",\n pages = \"971--978\"\n}\n\n\n@article{Mehl2017,\n doi = {10.1016/j.commatsci.2017.01.017},\n url = {https://doi.org/10.1016/j.commatsci.2017.01.017},\n year = {2017},\n month = {aug},\n publisher = {Elsevier {BV}},\n volume = {136},\n pages = {S1--S828},\n author = {Michael J. Mehl and David Hicks and Cormac Toher and Ohad Levy and Robert M. Hanson and Gus Hart and Stefano Curtarolo},\n title = {The {AFLOW} Library of Crystallographic Prototypes: Part 1},\n journal = {Computational Materials Science}\n}\n\n", "remarks": ["Parsed from AFLOW Library of Crystallographic Prototypes for purposes of structure matching. 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Lange\",\n title = \" Ein Vergleich zwischen Bi$_2$Te$_3$ und Bi$_2$Te$_2$S\",\n journal = \" Naturwissenschaften\",\n volume = \"27\",\n year = \"1939\",\n page_first = \"133\",\n page_last = \"134\",\n pages = \"133--134\"\n}\n\n\n@article{Mehl2017,\n doi = {10.1016/j.commatsci.2017.01.017},\n url = {https://doi.org/10.1016/j.commatsci.2017.01.017},\n year = {2017},\n month = {aug},\n publisher = {Elsevier {BV}},\n volume = {136},\n pages = {S1--S828},\n author = {Michael J. Mehl and David Hicks and Cormac Toher and Ohad Levy and Robert M. Hanson and Gus Hart and Stefano Curtarolo},\n title = {The {AFLOW} Library of Crystallographic Prototypes: Part 1},\n journal = {Computational Materials Science}\n}\n\n", "remarks": ["Parsed from AFLOW Library of Crystallographic Prototypes for purposes of structure matching. 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I. Mn$_{1-t}$Co$_t$P ($0.00<=t<=0.30$).\",\n journal = \" Acta Chemica Scandinvaca A\",\n volume = \"38\",\n year = \"1984\",\n page_first = \"563\",\n page_last = \"573\",\n pages = \"563--573\"\n}\n\n\n@article{Mehl2017,\n doi = {10.1016/j.commatsci.2017.01.017},\n url = {https://doi.org/10.1016/j.commatsci.2017.01.017},\n year = {2017},\n month = {aug},\n publisher = {Elsevier {BV}},\n volume = {136},\n pages = {S1--S828},\n author = {Michael J. Mehl and David Hicks and Cormac Toher and Ohad Levy and Robert M. Hanson and Gus Hart and Stefano Curtarolo},\n title = {The {AFLOW} Library of Crystallographic Prototypes: Part 1},\n journal = {Computational Materials Science}\n}\n\n", "remarks": ["Parsed from AFLOW Library of Crystallographic Prototypes for purposes of structure matching. 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Schmidt and B. Ewald and Yu. Prots and R. Cardoso-Gil and M. Armbrster and I. Loa and L. Zhang and Ya-Xi Huang and U. Schwarz and R. Kniep\",\n title = \" Growth and Characterization of BPO$_4$ Single Crystals\",\n journal = { Zeitschrift f\\\"{u}r anorganische und allgemeine Chemie},\n volume = \"630\",\n year = \"2004\",\n page_first = \"655\",\n page_last = \"662\",\n pages = \"655--662\"\n}\n\n\n@article{Mehl2017,\n doi = {10.1016/j.commatsci.2017.01.017},\n url = {https://doi.org/10.1016/j.commatsci.2017.01.017},\n year = {2017},\n month = {aug},\n publisher = {Elsevier {BV}},\n volume = {136},\n pages = {S1--S828},\n author = {Michael J. Mehl and David Hicks and Cormac Toher and Ohad Levy and Robert M. Hanson and Gus Hart and Stefano Curtarolo},\n title = {The {AFLOW} Library of Crystallographic Prototypes: Part 1},\n journal = {Computational Materials Science}\n}\n\n", "remarks": ["Parsed from AFLOW Library of Crystallographic Prototypes for purposes of structure matching. 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Gregory and Paul M. O'Meara and Alexandra G. Gordon and Jason P. Hodges and Simine Short and James D. Jorgensen\",\n title = \" Structure of Lithium Nitride and Transition-Metal-Doped Derivatives, Li$_{3-x-y}$M$_x$N (M = Ni, Cu): A Powder Neutron Diffraction Study\",\n journal = \" Chemistry of Materials\",\n volume = \"14\",\n year = \"2002\",\n page_first = \"2063\",\n page_last = \"2070\",\n pages = \"2063--2070\"\n}\n\n\n@article{Mehl2017,\n doi = {10.1016/j.commatsci.2017.01.017},\n url = {https://doi.org/10.1016/j.commatsci.2017.01.017},\n year = {2017},\n month = {aug},\n publisher = {Elsevier {BV}},\n volume = {136},\n pages = {S1--S828},\n author = {Michael J. Mehl and David Hicks and Cormac Toher and Ohad Levy and Robert M. Hanson and Gus Hart and Stefano Curtarolo},\n title = {The {AFLOW} Library of Crystallographic Prototypes: Part 1},\n journal = {Computational Materials Science}\n}\n\n", "remarks": ["Parsed from AFLOW Library of Crystallographic Prototypes for purposes of structure matching. 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Cameron and Ian M. Threadgold\",\n title = \" Vulcanite, a new copper telluride from Colorado, with notes on certain associated minerals\",\n journal = \" American Mineralogist\",\n volume = \"46\",\n year = \"1961\",\n page_first = \"258\",\n page_last = \"268\",\n pages = \"258--268\"\n}\n\n\n@article{Mehl2017,\n doi = {10.1016/j.commatsci.2017.01.017},\n url = {https://doi.org/10.1016/j.commatsci.2017.01.017},\n year = {2017},\n month = {aug},\n publisher = {Elsevier {BV}},\n volume = {136},\n pages = {S1--S828},\n author = {Michael J. Mehl and David Hicks and Cormac Toher and Ohad Levy and Robert M. Hanson and Gus Hart and Stefano Curtarolo},\n title = {The {AFLOW} Library of Crystallographic Prototypes: Part 1},\n journal = {Computational Materials Science}\n}\n\n", "remarks": ["Parsed from AFLOW Library of Crystallographic Prototypes for purposes of structure matching. 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Barth\",\n title = \" Die Kristallstruktur von Perowskit und verwandten Verbidungen\",\n journal = \" Norsk Geologisk Tidsskrift\",\n volume = \"8\",\n year = \"1925\",\n page_first = \"14\",\n page_last = \"19\",\n pages = \"14--19\"\n}\n\n\n@article{Mehl2017,\n doi = {10.1016/j.commatsci.2017.01.017},\n url = {https://doi.org/10.1016/j.commatsci.2017.01.017},\n year = {2017},\n month = {aug},\n publisher = {Elsevier {BV}},\n volume = {136},\n pages = {S1--S828},\n author = {Michael J. Mehl and David Hicks and Cormac Toher and Ohad Levy and Robert M. Hanson and Gus Hart and Stefano Curtarolo},\n title = {The {AFLOW} Library of Crystallographic Prototypes: Part 1},\n journal = {Computational Materials Science}\n}\n\n", "remarks": ["Parsed from AFLOW Library of Crystallographic Prototypes for purposes of structure matching. 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VI. \\\"{U}ber tern\\\"{a}re Chalogenide des Aluminiums, Galliums und Indiums mit Zink, Cadmium und Quecksilber},\n journal = { Zeitschrift f\\\"{u}r anorganische und allgemeine Chemie},\n volume = \"279\",\n year = \"1955\",\n page_first = \"241\",\n page_last = \"270\",\n pages = \"241--270\"\n}\n\n\n@article{Mehl2017,\n doi = {10.1016/j.commatsci.2017.01.017},\n url = {https://doi.org/10.1016/j.commatsci.2017.01.017},\n year = {2017},\n month = {aug},\n publisher = {Elsevier {BV}},\n volume = {136},\n pages = {S1--S828},\n author = {Michael J. Mehl and David Hicks and Cormac Toher and Ohad Levy and Robert M. Hanson and Gus Hart and Stefano Curtarolo},\n title = {The {AFLOW} Library of Crystallographic Prototypes: Part 1},\n journal = {Computational Materials Science}\n}\n\n", "remarks": ["Parsed from AFLOW Library of Crystallographic Prototypes for purposes of structure matching. 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R. Andress and E. Alberti\",\n title = { R\\\"{o}ntgenographische Untersuchung der Legierungsreihe Aluminium-Barium},\n journal = { Zeitschrift f\\\"{u}r Metallkunde},\n volume = \"27\",\n year = \"1935\",\n page_first = \"126\",\n page_last = \"128\",\n pages = \"126--128\"\n}\n\n\n@article{Mehl2017,\n doi = {10.1016/j.commatsci.2017.01.017},\n url = {https://doi.org/10.1016/j.commatsci.2017.01.017},\n year = {2017},\n month = {aug},\n publisher = {Elsevier {BV}},\n volume = {136},\n pages = {S1--S828},\n author = {Michael J. Mehl and David Hicks and Cormac Toher and Ohad Levy and Robert M. Hanson and Gus Hart and Stefano Curtarolo},\n title = {The {AFLOW} Library of Crystallographic Prototypes: Part 1},\n journal = {Computational Materials Science}\n}\n\n", "remarks": ["Parsed from AFLOW Library of Crystallographic Prototypes for purposes of structure matching. 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W. Barsoum and C. J. Rawn and T. El-Raghy and A. T. Procopio and W. D. Porter and H. Wang and C. R. Hubbard\",\n title = \" Thermal Properties of Ti$_4$AlN$_3$\",\n journal = \" Journal of Applied Physics\",\n volume = \"87\",\n year = \"2000\",\n page_first = \"8407\",\n page_last = \"8414\",\n pages = \"8407--8414\"\n}\n\n\n@article{Mehl2017,\n doi = {10.1016/j.commatsci.2017.01.017},\n url = {https://doi.org/10.1016/j.commatsci.2017.01.017},\n year = {2017},\n month = {aug},\n publisher = {Elsevier {BV}},\n volume = {136},\n pages = {S1--S828},\n author = {Michael J. Mehl and David Hicks and Cormac Toher and Ohad Levy and Robert M. Hanson and Gus Hart and Stefano Curtarolo},\n title = {The {AFLOW} Library of Crystallographic Prototypes: Part 1},\n journal = {Computational Materials Science}\n}\n\n", "remarks": ["Parsed from AFLOW Library of Crystallographic Prototypes for purposes of structure matching. 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Sch\\\"{o}nfeld and J. J. Huang and S. C. Moss},\n title = \" Anisotropic Mean-Square Displacements (MSD) in single Crystals of 2H- and 3R-MoS$_2$\",\n journal = \" Acta Crystallographica B\",\n volume = \"39\",\n year = \"1983\",\n page_first = \"404\",\n page_last = \"407\",\n pages = \"404--407\"\n}\n\n\n@article{Mehl2017,\n doi = {10.1016/j.commatsci.2017.01.017},\n url = {https://doi.org/10.1016/j.commatsci.2017.01.017},\n year = {2017},\n month = {aug},\n publisher = {Elsevier {BV}},\n volume = {136},\n pages = {S1--S828},\n author = {Michael J. Mehl and David Hicks and Cormac Toher and Ohad Levy and Robert M. Hanson and Gus Hart and Stefano Curtarolo},\n title = {The {AFLOW} Library of Crystallographic Prototypes: Part 1},\n journal = {Computational Materials Science}\n}\n\n", "remarks": ["Parsed from AFLOW Library of Crystallographic Prototypes for purposes of structure matching. 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Schefer and P. Fischer and W. H\\\"{a}lg and F. Stucki and L. Schlapbach and J. J. Didisheim and K. Yvon and A. F. Andresen},\n title = \" New structure results for hydrides and deuterides of the hydrogen storage material Mg$_2$Ni\",\n journal = \" Journal of the Less Common Metals\",\n volume = \"74\",\n year = \"1980\",\n page_first = \"65\",\n page_last = \"73\",\n pages = \"65--73\"\n}\n\n\n@article{Mehl2017,\n doi = {10.1016/j.commatsci.2017.01.017},\n url = {https://doi.org/10.1016/j.commatsci.2017.01.017},\n year = {2017},\n month = {aug},\n publisher = {Elsevier {BV}},\n volume = {136},\n pages = {S1--S828},\n author = {Michael J. Mehl and David Hicks and Cormac Toher and Ohad Levy and Robert M. Hanson and Gus Hart and Stefano Curtarolo},\n title = {The {AFLOW} Library of Crystallographic Prototypes: Part 1},\n journal = {Computational Materials Science}\n}\n\n", "remarks": ["Parsed from AFLOW Library of Crystallographic Prototypes for purposes of structure matching. 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Davey\",\n title = \" The Lattice Parameter and Density of Pure Tungsten\",\n journal = \" Physical Review\",\n volume = \"26\",\n year = \"1925\",\n page_first = \"736\",\n page_last = \"738\",\n pages = \"736--738\"\n}\n\n\n@article{Mehl2017,\n doi = {10.1016/j.commatsci.2017.01.017},\n url = {https://doi.org/10.1016/j.commatsci.2017.01.017},\n year = {2017},\n month = {aug},\n publisher = {Elsevier {BV}},\n volume = {136},\n pages = {S1--S828},\n author = {Michael J. Mehl and David Hicks and Cormac Toher and Ohad Levy and Robert M. Hanson and Gus Hart and Stefano Curtarolo},\n title = {The {AFLOW} Library of Crystallographic Prototypes: Part 1},\n journal = {Computational Materials Science}\n}\n\n", "remarks": ["Parsed from AFLOW Library of Crystallographic Prototypes for purposes of structure matching. 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Consid\\'{e}rations cristallochimiques sur les t\\'{e}traborures\",\n journal = \" Journal of Solid State Chemistry\",\n volume = \"8\",\n year = \"1973\",\n page_first = \"68\",\n page_last = \"85\",\n pages = \"68--85\"\n}\n\n\n@article{Mehl2017,\n doi = {10.1016/j.commatsci.2017.01.017},\n url = {https://doi.org/10.1016/j.commatsci.2017.01.017},\n year = {2017},\n month = {aug},\n publisher = {Elsevier {BV}},\n volume = {136},\n pages = {S1--S828},\n author = {Michael J. Mehl and David Hicks and Cormac Toher and Ohad Levy and Robert M. Hanson and Gus Hart and Stefano Curtarolo},\n title = {The {AFLOW} Library of Crystallographic Prototypes: Part 1},\n journal = {Computational Materials Science}\n}\n\n", "remarks": ["Parsed from AFLOW Library of Crystallographic Prototypes for purposes of structure matching. Please cite appropriate AFLOW publication."], "history": [], "created_at": {"@module": "datetime", "@class": "datetime", "string": "2018-01-17 19:44:14.580333"}}}, "tags": {"pearson": "oP20", "aflow": "A4B_oP20_62_2cd_c", "strukturbericht": "None", "mineral": "Magnesium tetraboride"}}, {"snl": {"@module": "pymatgen.util.provenance", "@class": "StructureNL", "charge": null, "lattice": {"matrix": [[4.07925, 0.0, 2.49782022771092e-16], [-2.49782022771092e-16, 4.07925, 2.49782022771092e-16], [0.0, 0.0, 4.07925]], "a": 4.07925, "b": 4.07925, "c": 4.07925, "alpha": 90.0, "beta": 90.0, "gamma": 90.0, "volume": 67.87986448457812}, "sites": [{"species": [{"element": "Cs", "occu": 1.0}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "Cs"}, {"species": [{"element": "Cl", "occu": 1.0}], "abc": [0.5, 0.5, 0.5], "xyz": [2.039625, 2.039625, 2.0396250000000005], "label": "Cl"}], "about": {"authors": [{"name": "AFLOW Library of Crystallographic Prototypes", "email": ""}], "projects": [], "references": "@article{reference0,\n author = \"V. Ganesan and K. S. Girirajan\",\n title = \" Lattice parameter and thermal expansion of CsCl and CsBr by x-ray powder diffraction. I. Thermal expansion of CsCl from room temperature to 90$^{\\circ}$ K\",\n journal = \" Paramana -- Journal of Physics\",\n volume = \"27\",\n year = \"1986\",\n page_first = \"469\",\n page_last = \"474\",\n pages = \"469--474\"\n}\n\n\n@article{Mehl2017,\n doi = {10.1016/j.commatsci.2017.01.017},\n url = {https://doi.org/10.1016/j.commatsci.2017.01.017},\n year = {2017},\n month = {aug},\n publisher = {Elsevier {BV}},\n volume = {136},\n pages = {S1--S828},\n author = {Michael J. Mehl and David Hicks and Cormac Toher and Ohad Levy and Robert M. Hanson and Gus Hart and Stefano Curtarolo},\n title = {The {AFLOW} Library of Crystallographic Prototypes: Part 1},\n journal = {Computational Materials Science}\n}\n\n", "remarks": ["Parsed from AFLOW Library of Crystallographic Prototypes for purposes of structure matching. 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Vo\\v{c}adlo and K. S. Knight and G. D. Price and I. G. Wood\",\n title = \" Thermal expansion and crystal structure of FeSi between 4 and 1173 K determined by time-of-flight neutron powder diffraction\",\n journal = \" Physics and Chemistry of Minerals\",\n volume = \"29\",\n year = \"2002\",\n page_first = \"132\",\n page_last = \"139\",\n pages = \"132--139\"\n}\n\n\n@article{Mehl2017,\n doi = {10.1016/j.commatsci.2017.01.017},\n url = {https://doi.org/10.1016/j.commatsci.2017.01.017},\n year = {2017},\n month = {aug},\n publisher = {Elsevier {BV}},\n volume = {136},\n pages = {S1--S828},\n author = {Michael J. Mehl and David Hicks and Cormac Toher and Ohad Levy and Robert M. Hanson and Gus Hart and Stefano Curtarolo},\n title = {The {AFLOW} Library of Crystallographic Prototypes: Part 1},\n journal = {Computational Materials Science}\n}\n\n", "remarks": ["Parsed from AFLOW Library of Crystallographic Prototypes for purposes of structure matching. 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Levin and Dirk C. Meyer and Peter Paufler and Werner Kochmann\",\n title = \" Microstructure of a Damascene sabre after annealing\",\n journal = \" International Journal of Materials Research\",\n volume = \"97\",\n year = \"2006\",\n page_first = \"1172\",\n page_last = \"1182\",\n pages = \"1172--1182\"\n}\n\n\n@article{Mehl2017,\n doi = {10.1016/j.commatsci.2017.01.017},\n url = {https://doi.org/10.1016/j.commatsci.2017.01.017},\n year = {2017},\n month = {aug},\n publisher = {Elsevier {BV}},\n volume = {136},\n pages = {S1--S828},\n author = {Michael J. Mehl and David Hicks and Cormac Toher and Ohad Levy and Robert M. Hanson and Gus Hart and Stefano Curtarolo},\n title = {The {AFLOW} Library of Crystallographic Prototypes: Part 1},\n journal = {Computational Materials Science}\n}\n\n", "remarks": ["Parsed from AFLOW Library of Crystallographic Prototypes for purposes of structure matching. 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G. Humble\",\n title = \" Establishment of an ordered phase of composition Au$_5$Mn$_2$ in the gold-manganese system\",\n journal = \" Acta Crystallographica\",\n volume = \"17\",\n year = \"1964\",\n page_first = \"1485\",\n page_last = \"1486\",\n pages = \"1485--1486\"\n}\n\n\n@article{Mehl2017,\n doi = {10.1016/j.commatsci.2017.01.017},\n url = {https://doi.org/10.1016/j.commatsci.2017.01.017},\n year = {2017},\n month = {aug},\n publisher = {Elsevier {BV}},\n volume = {136},\n pages = {S1--S828},\n author = {Michael J. Mehl and David Hicks and Cormac Toher and Ohad Levy and Robert M. Hanson and Gus Hart and Stefano Curtarolo},\n title = {The {AFLOW} Library of Crystallographic Prototypes: Part 1},\n journal = {Computational Materials Science}\n}\n\n", "remarks": ["Parsed from AFLOW Library of Crystallographic Prototypes for purposes of structure matching. 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H. Bragg and W. L. Bragg\",\n title = \" The Structure of Diamond\",\n journal = \" Proceedings of the Royal Society of London, Series A\",\n volume = \"89\",\n year = \"1913\",\n page_first = \"277\",\n page_last = \"291\",\n pages = \"277--291\"\n}\n\n\n@article{Mehl2017,\n doi = {10.1016/j.commatsci.2017.01.017},\n url = {https://doi.org/10.1016/j.commatsci.2017.01.017},\n year = {2017},\n month = {aug},\n publisher = {Elsevier {BV}},\n volume = {136},\n pages = {S1--S828},\n author = {Michael J. Mehl and David Hicks and Cormac Toher and Ohad Levy and Robert M. Hanson and Gus Hart and Stefano Curtarolo},\n title = {The {AFLOW} Library of Crystallographic Prototypes: Part 1},\n journal = {Computational Materials Science}\n}\n\n", "remarks": ["Parsed from AFLOW Library of Crystallographic Prototypes for purposes of structure matching. 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A. Owen and Y. H. Liu\",\n title = \" The Thermal Expansion of the Gold-Copper Alloy AuCu$_3$\",\n journal = \" Philosophical Magazine\",\n volume = \"38\",\n year = \"1947\",\n page_first = \"354\",\n page_last = \"360\",\n pages = \"354--360\"\n}\n\n\n@article{Mehl2017,\n doi = {10.1016/j.commatsci.2017.01.017},\n url = {https://doi.org/10.1016/j.commatsci.2017.01.017},\n year = {2017},\n month = {aug},\n publisher = {Elsevier {BV}},\n volume = {136},\n pages = {S1--S828},\n author = {Michael J. Mehl and David Hicks and Cormac Toher and Ohad Levy and Robert M. Hanson and Gus Hart and Stefano Curtarolo},\n title = {The {AFLOW} Library of Crystallographic Prototypes: Part 1},\n journal = {Computational Materials Science}\n}\n\n", "remarks": ["Parsed from AFLOW Library of Crystallographic Prototypes for purposes of structure matching. 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Hull and D. A. Keen\",\n title = \" High-pressure polymorphism of the copper(I) halides: A neutron-diffraction study to ~10 GPa\",\n journal = \" Physical Review B\",\n volume = \"50\",\n year = \"1994\",\n page_first = \"5868\",\n page_last = \"5885\",\n pages = \"5868--5885\"\n}\n\n\n@article{Mehl2017,\n doi = {10.1016/j.commatsci.2017.01.017},\n url = {https://doi.org/10.1016/j.commatsci.2017.01.017},\n year = {2017},\n month = {aug},\n publisher = {Elsevier {BV}},\n volume = {136},\n pages = {S1--S828},\n author = {Michael J. Mehl and David Hicks and Cormac Toher and Ohad Levy and Robert M. Hanson and Gus Hart and Stefano Curtarolo},\n title = {The {AFLOW} Library of Crystallographic Prototypes: Part 1},\n journal = {Computational Materials Science}\n}\n\n", "remarks": ["Parsed from AFLOW Library of Crystallographic Prototypes for purposes of structure matching. 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Parise\",\n title = \" Structure of Hazelwoodite (Ni$_3$S$_2$\",\n journal = \" Acta Crystallographica B\",\n volume = \"36\",\n year = \"1980\",\n page_first = \"1179\",\n page_last = \"1180\",\n pages = \"1179--1180\"\n}\n\n\n@article{Mehl2017,\n doi = {10.1016/j.commatsci.2017.01.017},\n url = {https://doi.org/10.1016/j.commatsci.2017.01.017},\n year = {2017},\n month = {aug},\n publisher = {Elsevier {BV}},\n volume = {136},\n pages = {S1--S828},\n author = {Michael J. Mehl and David Hicks and Cormac Toher and Ohad Levy and Robert M. Hanson and Gus Hart and Stefano Curtarolo},\n title = {The {AFLOW} Library of Crystallographic Prototypes: Part 1},\n journal = {Computational Materials Science}\n}\n\n", "remarks": ["Parsed from AFLOW Library of Crystallographic Prototypes for purposes of structure matching. 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Nowotny\",\n title = \" Die Kristallstruktur von Cu$_2$Te\",\n journal = { Zeitschrift f\\\"{u}r Metallkunde},\n volume = \"37\",\n year = \"1946\",\n page_first = \"40\",\n page_last = \"42\",\n pages = \"40--42\"\n}\n\n\n@article{Mehl2017,\n doi = {10.1016/j.commatsci.2017.01.017},\n url = {https://doi.org/10.1016/j.commatsci.2017.01.017},\n year = {2017},\n month = {aug},\n publisher = {Elsevier {BV}},\n volume = {136},\n pages = {S1--S828},\n author = {Michael J. Mehl and David Hicks and Cormac Toher and Ohad Levy and Robert M. Hanson and Gus Hart and Stefano Curtarolo},\n title = {The {AFLOW} Library of Crystallographic Prototypes: Part 1},\n journal = {Computational Materials Science}\n}\n\n", "remarks": ["Parsed from AFLOW Library of Crystallographic Prototypes for purposes of structure matching. 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III. Mitteilung. \\\"{U}ber die Kristallstruktur des Rheniumtrioxyds},\n journal = { Zeitschrift f\\\"{u}r anorganische und allgemeine Chemie},\n volume = \"207\",\n year = \"1932\",\n page_first = \"121\",\n page_last = \"128\",\n pages = \"121--128\"\n}\n\n\n@article{Mehl2017,\n doi = {10.1016/j.commatsci.2017.01.017},\n url = {https://doi.org/10.1016/j.commatsci.2017.01.017},\n year = {2017},\n month = {aug},\n publisher = {Elsevier {BV}},\n volume = {136},\n pages = {S1--S828},\n author = {Michael J. Mehl and David Hicks and Cormac Toher and Ohad Levy and Robert M. Hanson and Gus Hart and Stefano Curtarolo},\n title = {The {AFLOW} Library of Crystallographic Prototypes: Part 1},\n journal = {Computational Materials Science}\n}\n\n", "remarks": ["Parsed from AFLOW Library of Crystallographic Prototypes for purposes of structure matching. 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Chang\",\n title = \" Atomic displacements and crystallographic mechanisms in diffusionless transformation of gold-cadium single crystals containing 47.5 atomic per cent cadmium\",\n journal = \" Acta Crystallographica\",\n volume = \"4\",\n year = \"1951\",\n page_first = \"320\",\n page_last = \"324\",\n pages = \"320--324\"\n}\n\n\n@article{Mehl2017,\n doi = {10.1016/j.commatsci.2017.01.017},\n url = {https://doi.org/10.1016/j.commatsci.2017.01.017},\n year = {2017},\n month = {aug},\n publisher = {Elsevier {BV}},\n volume = {136},\n pages = {S1--S828},\n author = {Michael J. Mehl and David Hicks and Cormac Toher and Ohad Levy and Robert M. Hanson and Gus Hart and Stefano Curtarolo},\n title = {The {AFLOW} Library of Crystallographic Prototypes: Part 1},\n journal = {Computational Materials Science}\n}\n\n", "remarks": ["Parsed from AFLOW Library of Crystallographic Prototypes for purposes of structure matching. 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Jeitschko\",\n title = \" Refinement of the crystal structure of TiSi$_2$ and some comments on bonding in TiSi$_2$ and related compounds\",\n journal = \" Acta Crystallographica B\",\n volume = \"33\",\n year = \"1977\",\n page_first = \"2347\",\n page_last = \"2348\",\n pages = \"2347--2348\"\n}\n\n\n@article{Mehl2017,\n doi = {10.1016/j.commatsci.2017.01.017},\n url = {https://doi.org/10.1016/j.commatsci.2017.01.017},\n year = {2017},\n month = {aug},\n publisher = {Elsevier {BV}},\n volume = {136},\n pages = {S1--S828},\n author = {Michael J. Mehl and David Hicks and Cormac Toher and Ohad Levy and Robert M. Hanson and Gus Hart and Stefano Curtarolo},\n title = {The {AFLOW} Library of Crystallographic Prototypes: Part 1},\n journal = {Computational Materials Science}\n}\n\n", "remarks": ["Parsed from AFLOW Library of Crystallographic Prototypes for purposes of structure matching. 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Keat and Philip A. Vaughan\",\n title = \" The crystal structure of keatite, a new form of silica\",\n journal = { Zeitschrift f\\\"{u}r Kristallographie},\n volume = \"112\",\n year = \"1959\",\n page_first = \"409\",\n page_last = \"413\",\n pages = \"409--413\"\n}\n\n\n@article{Mehl2017,\n doi = {10.1016/j.commatsci.2017.01.017},\n url = {https://doi.org/10.1016/j.commatsci.2017.01.017},\n year = {2017},\n month = {aug},\n publisher = {Elsevier {BV}},\n volume = {136},\n pages = {S1--S828},\n author = {Michael J. Mehl and David Hicks and Cormac Toher and Ohad Levy and Robert M. Hanson and Gus Hart and Stefano Curtarolo},\n title = {The {AFLOW} Library of Crystallographic Prototypes: Part 1},\n journal = {Computational Materials Science}\n}\n\n", "remarks": ["Parsed from AFLOW Library of Crystallographic Prototypes for purposes of structure matching. 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Jeitschko and H. Nowotny and F. Benesovsky\",\n title = { Kohlenstoffhaltige tern\\\"{a}re Verbindungen (H-Phase)},\n journal = { Monatshefte f\\\"{u}r Chemie und verwandte Teile anderer Wissenschaften},\n volume = \"94\",\n year = \"1963\",\n page_first = \"672\",\n page_last = \"676\",\n pages = \"672--676\"\n}\n\n\n@article{Mehl2017,\n doi = {10.1016/j.commatsci.2017.01.017},\n url = {https://doi.org/10.1016/j.commatsci.2017.01.017},\n year = {2017},\n month = {aug},\n publisher = {Elsevier {BV}},\n volume = {136},\n pages = {S1--S828},\n author = {Michael J. Mehl and David Hicks and Cormac Toher and Ohad Levy and Robert M. Hanson and Gus Hart and Stefano Curtarolo},\n title = {The {AFLOW} Library of Crystallographic Prototypes: Part 1},\n journal = {Computational Materials Science}\n}\n\n", "remarks": ["Parsed from AFLOW Library of Crystallographic Prototypes for purposes of structure matching. 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Trojer\",\n title = \" Refinement of the Structure of Sulvanite\",\n journal = \" American Mineralogist\",\n volume = \"51\",\n year = \"1966\",\n page_first = \"890\",\n page_last = \"894\",\n pages = \"890--894\"\n}\n\n\n@article{Mehl2017,\n doi = {10.1016/j.commatsci.2017.01.017},\n url = {https://doi.org/10.1016/j.commatsci.2017.01.017},\n year = {2017},\n month = {aug},\n publisher = {Elsevier {BV}},\n volume = {136},\n pages = {S1--S828},\n author = {Michael J. Mehl and David Hicks and Cormac Toher and Ohad Levy and Robert M. Hanson and Gus Hart and Stefano Curtarolo},\n title = {The {AFLOW} Library of Crystallographic Prototypes: Part 1},\n journal = {Computational Materials Science}\n}\n\n", "remarks": ["Parsed from AFLOW Library of Crystallographic Prototypes for purposes of structure matching. 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N{\\o}rlund Christensen and B. Lebech\",\n title = \" The structure of $\\beta$-Vanadium Nitride\",\n journal = \" Acta Crystallographica B\",\n volume = \"35\",\n year = \"1979\",\n page_first = \"2677\",\n page_last = \"2678\",\n pages = \"2677--2678\"\n}\n\n\n@article{Mehl2017,\n doi = {10.1016/j.commatsci.2017.01.017},\n url = {https://doi.org/10.1016/j.commatsci.2017.01.017},\n year = {2017},\n month = {aug},\n publisher = {Elsevier {BV}},\n volume = {136},\n pages = {S1--S828},\n author = {Michael J. Mehl and David Hicks and Cormac Toher and Ohad Levy and Robert M. Hanson and Gus Hart and Stefano Curtarolo},\n title = {The {AFLOW} Library of Crystallographic Prototypes: Part 1},\n journal = {Computational Materials Science}\n}\n\n", "remarks": ["Parsed from AFLOW Library of Crystallographic Prototypes for purposes of structure matching. 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Wenski and A. Mewis\",\n title = \" Trigonal-planar koordiniertes Platin: Darstellung und Struktur von SrPtAs (Sb), BaPtP (As, Sb), SrPt$_x$P$_{2-x}$, SrPt$_x$As$_{0.90}$ und BaPt$_x$As$_{0.90}$\",\n journal = { Zeitschrift f\\\"{u}r anorganische und allgemeine Chemie},\n volume = \"535\",\n year = \"1986\",\n page_first = \"110\",\n page_last = \"122\",\n pages = \"110--122\"\n}\n\n\n@article{Mehl2017,\n doi = {10.1016/j.commatsci.2017.01.017},\n url = {https://doi.org/10.1016/j.commatsci.2017.01.017},\n year = {2017},\n month = {aug},\n publisher = {Elsevier {BV}},\n volume = {136},\n pages = {S1--S828},\n author = {Michael J. Mehl and David Hicks and Cormac Toher and Ohad Levy and Robert M. Hanson and Gus Hart and Stefano Curtarolo},\n title = {The {AFLOW} Library of Crystallographic Prototypes: Part 1},\n journal = {Computational Materials Science}\n}\n\n", "remarks": ["Parsed from AFLOW Library of Crystallographic Prototypes for purposes of structure matching. 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L. Mills and A. F. Schuch\",\n title = \" Crystal Structure of Gamma Nitrogen\",\n journal = \" Physical Review Letters\",\n volume = \"23\",\n year = \"1969\",\n page_first = \"1154\",\n page_last = \"1156\",\n pages = \"1154--1156\"\n}\n\n\n@article{Mehl2017,\n doi = {10.1016/j.commatsci.2017.01.017},\n url = {https://doi.org/10.1016/j.commatsci.2017.01.017},\n year = {2017},\n month = {aug},\n publisher = {Elsevier {BV}},\n volume = {136},\n pages = {S1--S828},\n author = {Michael J. Mehl and David Hicks and Cormac Toher and Ohad Levy and Robert M. Hanson and Gus Hart and Stefano Curtarolo},\n title = {The {AFLOW} Library of Crystallographic Prototypes: Part 1},\n journal = {Computational Materials Science}\n}\n\n", "remarks": ["Parsed from AFLOW Library of Crystallographic Prototypes for purposes of structure matching. 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L. Boyer and Efthimios Kaxiras and J. L. Feldman and J. Q. Broughton and M. J. Mehl\",\n title = \" New low-energy crystal structure for silicon\",\n journal = \" Physical Review Letters\",\n volume = \"67\",\n year = \"1991\",\n page_first = \"715\",\n page_last = \"718\",\n pages = \"715--718\"\n}\n\n\n@article{Mehl2017,\n doi = {10.1016/j.commatsci.2017.01.017},\n url = {https://doi.org/10.1016/j.commatsci.2017.01.017},\n year = {2017},\n month = {aug},\n publisher = {Elsevier {BV}},\n volume = {136},\n pages = {S1--S828},\n author = {Michael J. Mehl and David Hicks and Cormac Toher and Ohad Levy and Robert M. Hanson and Gus Hart and Stefano Curtarolo},\n title = {The {AFLOW} Library of Crystallographic Prototypes: Part 1},\n journal = {Computational Materials Science}\n}\n\n", "remarks": ["Parsed from AFLOW Library of Crystallographic Prototypes for purposes of structure matching. 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Schiferl and C. S. Barrett\",\n title = \" The crystal structure of arsenic at 4.2, 78 and 299 K\",\n journal = \" Journal of Applied Crystallography\",\n volume = \"2\",\n year = \"1969\",\n page_first = \"30\",\n page_last = \"36\",\n pages = \"30--36\"\n}\n\n\n@article{Mehl2017,\n doi = {10.1016/j.commatsci.2017.01.017},\n url = {https://doi.org/10.1016/j.commatsci.2017.01.017},\n year = {2017},\n month = {aug},\n publisher = {Elsevier {BV}},\n volume = {136},\n pages = {S1--S828},\n author = {Michael J. Mehl and David Hicks and Cormac Toher and Ohad Levy and Robert M. Hanson and Gus Hart and Stefano Curtarolo},\n title = {The {AFLOW} Library of Crystallographic Prototypes: Part 1},\n journal = {Computational Materials Science}\n}\n\n", "remarks": ["Parsed from AFLOW Library of Crystallographic Prototypes for purposes of structure matching. 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A. Yurko and J. W. Barton and J. Gordon Parr\",\n title = \" The crystal structure of Ti$_2$Ni\",\n journal = \" Acta Crystallographica\",\n volume = \"12\",\n year = \"1959\",\n page_first = \"909\",\n page_last = \"911\",\n pages = \"909--911\"\n}\n\n\n@article{Mehl2017,\n doi = {10.1016/j.commatsci.2017.01.017},\n url = {https://doi.org/10.1016/j.commatsci.2017.01.017},\n year = {2017},\n month = {aug},\n publisher = {Elsevier {BV}},\n volume = {136},\n pages = {S1--S828},\n author = {Michael J. Mehl and David Hicks and Cormac Toher and Ohad Levy and Robert M. Hanson and Gus Hart and Stefano Curtarolo},\n title = {The {AFLOW} Library of Crystallographic Prototypes: Part 1},\n journal = {Computational Materials Science}\n}\n\n", + "remarks": [ + "Parsed from AFLOW Library of Crystallographic Prototypes for purposes of structure matching. 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Petrillo and O. Moze and R. M. Ibberson\",\n title = \" High resolution neutron powder diffraction investigation of the low temperature crystal structure of molecular iodine (I$_2$)\",\n journal = \" Physica B\",\n volume = \"180-181\",\n year = \"1992\",\n page_first = \"639\",\n page_last = \"641\",\n pages = \"639--641\"\n}\n\n\n@article{Mehl2017,\n doi = {10.1016/j.commatsci.2017.01.017},\n url = {https://doi.org/10.1016/j.commatsci.2017.01.017},\n year = {2017},\n month = {aug},\n publisher = {Elsevier {BV}},\n volume = {136},\n pages = {S1--S828},\n author = {Michael J. Mehl and David Hicks and Cormac Toher and Ohad Levy and Robert M. Hanson and Gus Hart and Stefano Curtarolo},\n title = {The {AFLOW} Library of Crystallographic Prototypes: Part 1},\n journal = {Computational Materials Science}\n}\n\n", + "remarks": [ + "Parsed from AFLOW Library of Crystallographic Prototypes for purposes of structure matching. 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author = \"Gary B. Adams and Michael O'Keeffe and Alexander A. Demkov and Otto F. Sankey and Yin-Min Huang\",\n title = \" Wide-band-gap Si in open fourfold-coordinated clathrate structures\",\n journal = \" Physical Review B\",\n volume = \"49\",\n year = \"1994\",\n page_first = \"8048\",\n page_last = \"8053\",\n pages = \"8048--8053\"\n}\n\n\n@article{Mehl2017,\n doi = {10.1016/j.commatsci.2017.01.017},\n url = {https://doi.org/10.1016/j.commatsci.2017.01.017},\n year = {2017},\n month = {aug},\n publisher = {Elsevier {BV}},\n volume = {136},\n pages = {S1--S828},\n author = {Michael J. Mehl and David Hicks and Cormac Toher and Ohad Levy and Robert M. Hanson and Gus Hart and Stefano Curtarolo},\n title = {The {AFLOW} Library of Crystallographic Prototypes: Part 1},\n journal = {Computational Materials Science}\n}\n\n", + "remarks": [ + "Parsed from AFLOW Library of Crystallographic Prototypes for purposes of structure matching. 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B. Pearson\",\n title = \" The Cu$_2$Sb and related structures\",\n journal = { Zeitschrift f\\\"{u}r Kristallographie},\n volume = \"171\",\n year = \"1985\",\n page_first = \"23\",\n page_last = \"39\",\n pages = \"23--39\"\n}\n\n\n@article{Mehl2017,\n doi = {10.1016/j.commatsci.2017.01.017},\n url = {https://doi.org/10.1016/j.commatsci.2017.01.017},\n year = {2017},\n month = {aug},\n publisher = {Elsevier {BV}},\n volume = {136},\n pages = {S1--S828},\n author = {Michael J. Mehl and David Hicks and Cormac Toher and Ohad Levy and Robert M. Hanson and Gus Hart and Stefano Curtarolo},\n title = {The {AFLOW} Library of Crystallographic Prototypes: Part 1},\n journal = {Computational Materials Science}\n}\n\n", + "remarks": [ + "Parsed from AFLOW Library of Crystallographic Prototypes for purposes of structure matching. Please cite appropriate AFLOW publication." + ], + "history": [], + "created_at": { + "@module": "datetime", + "@class": "datetime", + "string": "2018-01-17 19:44:15.337757" + } + } + }, + "tags": { + "pearson": "tP6", + "aflow": "A2B_tP6_129_ac_c", + "strukturbericht": "C38", + "mineral": "" + } + }, + { + "snl": { + "@module": "pymatgen.util.provenance", + "@class": "StructureNL", + "charge": null, + "lattice": { + "matrix": [ + [ + 0.0, + 0.0, + 3.772 + ], + [ + -5.082, + 5.082, + 1.886 + ], + [ + -5.081999999999999, + -5.082, + 1.8859999999999992 + ] + ], + "a": 3.772, + "b": 7.430373072733293, + "c": 7.430373072733292, + "alpha": 86.3060954640227, + "beta": 75.2961431175098, + "gamma": 75.29614311750977, + "volume": 194.83680585599996 + }, + "sites": [ + { + "species": [ + { + "element": "Te", + "occu": 1.0 + } + ], + "abc": [ + 0.27970000000000006, + 0.6614, + 0.7791999999999999 + ], + "xyz": [ + -7.321129199999998, + -0.5986595999999997, + 3.7719999999999994 + ], + "label": "Te" + }, + { + "species": [ + { + "element": "Te", + "occu": 1.0 + } + ], + "abc": [ + 0.7202999999999999, + 0.3385999999999998, + 0.2208000000000002 + ], + "xyz": [ + -2.8428707999999996, + 0.598659599999998, + 3.7719999999999994 + ], + "label": "Te" + }, + { + "species": [ + { + "element": "Te", + "occu": 1.0 + } + ], + "abc": [ + 0.05889999999999995, + 0.22080000000000008, + 0.6614 + ], + "xyz": [ + -4.4833403999999994, + -2.2391291999999994, + 1.8859999999999995 + ], + "label": "Te" + }, + { + "species": [ + { + "element": "Te", + "occu": 1.0 + } + ], + "abc": [ + 0.9411, + 0.7791999999999999, + 0.3386 + ], + "xyz": [ + -5.6806595999999985, + 2.239129199999999, + 5.6579999999999995 + ], + "label": "Te" + }, + { + "species": [ + { + "element": "Ti", + "occu": 1.0 + } + ], + "abc": [ + 0.0, + 0.0, + 0.0 + ], + "xyz": [ + 0.0, + 0.0, + 0.0 + ], + "label": "Ti" + }, + { + "species": [ + { + "element": "Ti", + "occu": 1.0 + } + ], + "abc": [ + 0.3752, + 0.31039999999999995, + 0.9391999999999999 + ], + "xyz": [ + -6.350467199999998, + -3.1955616, + 3.771999999999999 + ], + "label": "Ti" + }, + { + "species": [ + { + "element": "Ti", + "occu": 1.0 + } + ], + "abc": [ + 0.6248, + 0.6896, + 0.06079999999999996 + ], + "xyz": [ + -3.8135327999999995, + 3.1955616, + 3.772 + ], + "label": "Ti" + }, + { + "species": [ + { + "element": "Ti", + "occu": 1.0 + } + ], + "abc": [ + 0.3143999999999999, + 0.060799999999999944, + 0.3104000000000001 + ], + "xyz": [ + -1.8864384, + -1.2684672000000008, + 1.8859999999999992 + ], + "label": "Ti" + }, + { + "species": [ + { + "element": "Ti", + "occu": 1.0 + } + ], + "abc": [ + 0.6856, + 0.9391999999999999, + 0.6895999999999999 + ], + "xyz": [ + -8.277561599999999, + 1.2684672, + 5.657999999999999 + ], + "label": "Ti" + } + ], + "about": { + "authors": [ + { + "name": "AFLOW Library of Crystallographic Prototypes", + "email": "" + } + ], + "projects": [], + "references": "@article{reference0,\n author = \"F. Gr\\onvold and A. Kjekshus and F. Raaum\",\n title = \" The crystal structure of Ti$_5$Te$_4$\",\n journal = \" Acta Crystallographica\",\n volume = \"14\",\n year = \"1961\",\n page_first = \"930\",\n page_last = \"934\",\n pages = \"930--934\"\n}\n\n\n@article{Mehl2017,\n doi = {10.1016/j.commatsci.2017.01.017},\n url = {https://doi.org/10.1016/j.commatsci.2017.01.017},\n year = {2017},\n month = {aug},\n publisher = {Elsevier {BV}},\n volume = {136},\n pages = {S1--S828},\n author = {Michael J. Mehl and David Hicks and Cormac Toher and Ohad Levy and Robert M. Hanson and Gus Hart and Stefano Curtarolo},\n title = {The {AFLOW} Library of Crystallographic Prototypes: Part 1},\n journal = {Computational Materials Science}\n}\n\n", + "remarks": [ + "Parsed from AFLOW Library of Crystallographic Prototypes for purposes of structure matching. Please cite appropriate AFLOW publication." + ], + "history": [], + "created_at": { + "@module": "datetime", + "@class": "datetime", + "string": "2018-01-17 19:44:15.353613" + } + } + }, + "tags": { + "pearson": "tI18", + "aflow": "A4B5_tI18_87_h_ah", + "strukturbericht": "None", + "mineral": "Titanium telluride" + } + }, + { + "snl": { + "@module": "pymatgen.util.provenance", + "@class": "StructureNL", + "charge": null, + "lattice": { + "matrix": [ + [ + -2.300099999999999, + -2.3001, + 2.4731499999999995 + ], + [ + -2.3001, + 2.3001, + -2.47315 + ], + [ + 2.3001, + -2.3001, + -2.47315 + ] + ], + "a": 4.086244111956601, + "b": 4.086244111956602, + "c": 4.086244111956602, + "alpha": 105.50806729351963, + "beta": 111.48840768130603, + "gamma": 111.48840768130606, + "volume": 52.33640469492599 + }, + "sites": [ + { + "species": [ + { + "element": "In", + "occu": 1.0 + } + ], + "abc": [ + 0.0, + 0.0, + 0.0 + ], + "xyz": [ + 0.0, + 0.0, + 0.0 + ], + "label": "In" + } + ], + "about": { + "authors": [ + { + "name": "AFLOW Library of Crystallographic Prototypes", + "email": "" + } + ], + "projects": [], + "references": "@article{reference0,\n author = \"V. T. Deshpande and R. R. Pawar\",\n title = \" Anisotropic Thermal Expansion of Indium\",\n journal = \" Acta Crystallographica A\",\n volume = \"25\",\n year = \"1969\",\n page_first = \"415\",\n page_last = \"416\",\n pages = \"415--416\"\n}\n\n\n@article{Mehl2017,\n doi = {10.1016/j.commatsci.2017.01.017},\n url = {https://doi.org/10.1016/j.commatsci.2017.01.017},\n year = {2017},\n month = {aug},\n publisher = {Elsevier {BV}},\n volume = {136},\n pages = {S1--S828},\n author = {Michael J. Mehl and David Hicks and Cormac Toher and Ohad Levy and Robert M. Hanson and Gus Hart and Stefano Curtarolo},\n title = {The {AFLOW} Library of Crystallographic Prototypes: Part 1},\n journal = {Computational Materials Science}\n}\n\n", + "remarks": [ + "Parsed from AFLOW Library of Crystallographic Prototypes for purposes of structure matching. Please cite appropriate AFLOW publication." + ], + "history": [], + "created_at": { + "@module": "datetime", + "@class": "datetime", + "string": "2018-01-17 19:44:15.363933" + } + } + }, + "tags": { + "pearson": "tI2", + "aflow": "A_tI2_139_a", + "strukturbericht": "A6", + "mineral": "Indium" + } + } +] diff --git a/src/pymatgen/symmetry/groups.py b/src/pymatgen/symmetry/groups.py index a0c3e79ab87..fab21815d5e 100644 --- a/src/pymatgen/symmetry/groups.py +++ b/src/pymatgen/symmetry/groups.py @@ -112,6 +112,7 @@ class PointGroup(SymmetryGroup): def __init__(self, int_symbol: str) -> None: """Initialize a Point Group from its international symbol. + Please note that only the 32 crystal classes are supported right now. Args: int_symbol (str): International or Hermann-Mauguin Symbol. @@ -165,6 +166,54 @@ def get_orbit(self, p: ArrayLike, tol: float = 1e-5) -> list[np.ndarray]: orbit.append(pp) return orbit + @classmethod + def from_space_group(cls, sg_symbol: str) -> PointGroup: + """Instantiate one of the 32 crystal classes from a space group symbol in + Hermann Mauguin notation (int symbol or full symbol). + + Args: + sg_symbol: space group symbol in Hermann Mauguin notation. + + Raises: + AssertionError if a valid crystal class cannot be created + Returns: + crystal class in Hermann-Mauguin notation. + """ + abbrev_map = { + "2/m2/m2/m": "mmm", + "4/m2/m2/m": "4/mmm", + "-32/m": "-3m", + "6/m2/m2/m": "6/mmm", + "2/m-3": "m-3", + "4/m-32/m": "m-3m", + } + non_standard_map = { + "m2m": "mm2", + "2mm": "mm2", + "-4m2": "-42m", # technically not non-standard + "-62m": "-6m2", # technically not non-standard + } + symbol = re.sub(r" ", "", sg_symbol) + + symm_ops = loadfn(os.path.join(os.path.dirname(__file__), "symm_ops.json")) # get short symbol if possible + for spg in symm_ops: + if symbol in [spg["hermann_mauguin"], spg["universal_h_m"], spg["hermann_mauguin_u"]]: + symbol = spg["short_h_m"] + + assert symbol[0].isupper(), f"Invalid sg_symbol {sg_symbol}" + assert not symbol[1:].isupper(), f"Invalid sg_symbol {sg_symbol}" + + symbol = symbol[1:] # Remove centering + symbol = symbol.translate(str.maketrans("abcden", "mmmmmm")) # Remove translation from glide planes + symbol = re.sub(r"_.", "", symbol) # Remove translation from screw axes + symbol = abbrev_map.get(symbol, symbol) + symbol = non_standard_map.get(symbol, symbol) + + assert ( + symbol in SYMM_DATA["point_group_encoding"] + ), f"Could not create a valid crystal class ({symbol}) from sg_symbol {sg_symbol}" + return cls(symbol) + @cached_class class SpaceGroup(SymmetryGroup): @@ -194,7 +243,7 @@ class SpaceGroup(SymmetryGroup): v["full_symbol"]: k for k, v in SYMM_DATA["space_group_encoding"].items() } - def __init__(self, int_symbol: str) -> None: + def __init__(self, int_symbol: str, hexagonal: bool = True) -> None: """Initialize a Space Group from its full or abbreviated international symbol. Only standard settings are supported. @@ -209,9 +258,26 @@ def __init__(self, int_symbol: str) -> None: possible settings for a spacegroup, use the get_settings() classmethod. Alternative origin choices can be indicated by a translation vector, e.g. 'Fm-3m(a-1/4,b-1/4,c-1/4)'. + hexagonal (bool): For rhombohedral groups, whether to handle as in + hexagonal setting (default) or rhombohedral setting. + If the int_symbol of a rhombohedral spacegroup is given with the + setting ("(:)H"/"(:)R"), this parameter is overwritten accordingly + (please note that the setting is not contained in the symbol + attribute anymore). """ from pymatgen.core.operations import SymmOp + if int_symbol.endswith("H"): + self.hexagonal = True + if not int_symbol.endswith(":H"): + int_symbol = int_symbol[:-1] + ":H" + elif int_symbol.endswith("R"): + self.hexagonal = False + if not int_symbol.endswith(":R"): + int_symbol = int_symbol[:-1] + ":R" + else: + self.hexagonal = hexagonal + int_symbol = re.sub(r" ", "", int_symbol) if int_symbol in SpaceGroup.abbrev_sg_mapping: int_symbol = SpaceGroup.abbrev_sg_mapping[int_symbol] @@ -221,15 +287,22 @@ def __init__(self, int_symbol: str) -> None: self._symmetry_ops: set[SymmOp] | None for spg in SpaceGroup.SYMM_OPS: - if int_symbol in [spg["hermann_mauguin"], spg["universal_h_m"]]: + if int_symbol in [spg["hermann_mauguin"], spg["universal_h_m"], spg["hermann_mauguin_u"]]: ops = [SymmOp.from_xyz_str(s) for s in spg["symops"]] - self.symbol = re.sub(r":", "", re.sub(r" ", "", spg["universal_h_m"])) + self.symbol = spg["hermann_mauguin_u"] if int_symbol in SpaceGroup.sg_encoding: self.full_symbol = SpaceGroup.sg_encoding[int_symbol]["full_symbol"] self.point_group = SpaceGroup.sg_encoding[int_symbol]["point_group"] + elif self.symbol in SpaceGroup.sg_encoding: + self.full_symbol = SpaceGroup.sg_encoding[self.symbol]["full_symbol"] + self.point_group = SpaceGroup.sg_encoding[self.symbol]["point_group"] else: - self.full_symbol = re.sub(r" ", "", spg["universal_h_m"]) - self.point_group = spg["schoenflies"] + self.full_symbol = spg["hermann_mauguin_u"] + warnings.warn( + f"Full symbol not available, falling back to short Hermann Mauguin symbol " + f"{self.symbol} instead" + ) + self.point_group = spg["point_group"] self.int_number = spg["number"] self.order = len(ops) self._symmetry_ops = {*ops} @@ -399,7 +472,7 @@ def check(param, ref, tolerance): if crys_system == "hexagonal" or ( crys_system == "trigonal" and ( - self.symbol.endswith("H") + self.hexagonal or self.int_number in [143, 144, 145, 147, 149, 150, 151, 152, 153, 154, 156, 157, 158, 159, 162, 163, 164, 165] ) @@ -531,7 +604,8 @@ def sg_symbol_from_int_number(int_number: int, hexagonal: bool = True) -> str: hexagonal setting (default) or rhombohedral setting. Returns: - str: Spacegroup symbol + str: Spacegroup symbol / Space group symbol + "H" if group is + rhombohedral and hexagonal=True """ syms = [] for n, v in SYMM_DATA["space_group_encoding"].items(): diff --git a/src/pymatgen/symmetry/symm_data.json b/src/pymatgen/symmetry/symm_data.json index 067fcfe61fe..c2fd78a702a 100644 --- a/src/pymatgen/symmetry/symm_data.json +++ b/src/pymatgen/symmetry/symm_data.json @@ -1 +1 @@ -{"abbreviated_spacegroup_symbols": {"C2": "C121", "C2/c": "C12/c1", "C2/m": "C12/m1", "Cc": "C1c1", "Cm": "C1m1", "P2": "P121", "P2/c": "P12/c1", "P2/m": "P12/m1", "P2_1": "P12_11", "P2_1/c": "P12_1/c1", "P2_1/m": "P12_1/m1", "Pc": "P1c1", "Pm": "P1m1"}, "generator_matrices": {"a": [[1, 0, 0], [0, 1, 0], [0, 0, 1]], "b": [[-1, 0, 0], [0, -1, 0], [0, 0, 1]], "c": [[-1, 0, 0], [0, 1, 0], [0, 0, -1]], "d": [[0, 0, 1], [1, 0, 0], [0, 1, 0]], "e": [[0, 1, 0], [1, 0, 0], [0, 0, -1]], "f": [[0, -1, 0], [-1, 0, 0], [0, 0, -1]], "g": [[0, -1, 0], [1, 0, 0], [0, 0, 1]], "h": [[-1, 0, 0], [0, -1, 0], [0, 0, -1]], "i": [[1, 0, 0], [0, 1, 0], [0, 0, -1]], "j": [[1, 0, 0], [0, -1, 0], [0, 0, 1]], "k": [[0, -1, 0], [-1, 0, 0], [0, 0, 1]], "l": [[0, 1, 0], [1, 0, 0], [0, 0, 1]], "m": [[0, 1, 0], [-1, 0, 0], [0, 0, -1]], "n": [[0, -1, 0], [1, -1, 0], [0, 0, 1]]}, "maximal_subgroups": {"1": [1], "2": [1, 2], "3": [1, 3, 4, 5], "4": [1, 4], "5": [1, 3, 4, 5], "6": [1, 6, 7, 8], "7": [1, 7, 9], "8": [1, 6, 7, 8, 9], "9": [1, 7, 9], "10": [2, 3, 6, 10, 11, 12, 13], "11": [2, 4, 6, 11, 14], "12": [2, 5, 8, 10, 11, 12, 13, 14, 15], "13": [2, 3, 7, 13, 14, 15], "14": [2, 4, 7, 14], "15": [2, 5, 9, 13, 14, 15], "16": [3, 16, 17, 21, 22], "17": [3, 4, 17, 18, 20], "18": [3, 4, 18, 19], "19": [4, 19], "20": [4, 5, 17, 18, 19, 20], "21": [3, 5, 16, 17, 18, 20, 21, 23, 24], "22": [5, 20, 21, 22], "23": [5, 16, 18, 23], "24": [5, 17, 19, 24], "25": [3, 6, 25, 26, 27, 28, 35, 38, 39, 42], "26": [4, 6, 7, 26, 29, 31, 36], "27": [3, 7, 27, 30, 37], "28": [3, 6, 7, 28, 29, 30, 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123, 124, 125, 127, 129, 131, 132, 139, 140], "124": [49, 66, 83, 89, 103, 112, 116, 124, 126, 128, 130], "125": [50, 67, 85, 89, 100, 111, 117, 125, 126, 133, 134], "126": [48, 68, 85, 89, 104, 112, 118, 126], "127": [55, 65, 83, 90, 100, 113, 117, 127, 128, 135, 136], "128": [58, 66, 83, 90, 104, 114, 118, 128], "129": [59, 67, 85, 90, 99, 113, 115, 129, 130, 137, 138], "130": [56, 68, 85, 90, 103, 114, 116, 130], "131": [47, 66, 84, 93, 105, 112, 115, 131, 132, 134, 136, 138], "132": [49, 65, 84, 93, 101, 111, 116, 131, 132, 133, 135, 137], "133": [50, 68, 86, 93, 106, 112, 117, 133], "134": [48, 67, 86, 93, 102, 111, 118, 134, 141, 142], "135": [55, 66, 84, 94, 106, 114, 117, 135], "136": [58, 65, 84, 94, 102, 113, 118, 136], "137": [59, 68, 86, 94, 105, 114, 115, 137], "138": [56, 67, 86, 94, 101, 113, 116, 138], "139": [69, 71, 87, 97, 107, 119, 121, 123, 126, 128, 129, 131, 134, 136, 137, 139], "140": [69, 72, 87, 97, 108, 120, 121, 124, 125, 127, 130, 132, 133, 135, 138, 140], "141": [70, 74, 88, 98, 109, 119, 122, 141], "142": [70, 73, 88, 98, 110, 120, 122, 142], "143": [1, 143, 144, 145, 146], "144": [1, 144, 145], "145": [1, 144, 145], "146": [1, 143, 144, 145, 146], "147": [2, 143, 147, 148], "148": [2, 146, 147, 148], "149": [5, 143, 149, 150, 151, 153, 155], "150": [5, 143, 149, 150, 152, 154], "151": [5, 144, 151, 152, 153], "152": [5, 144, 151, 152, 154], "153": [5, 145, 151, 153, 154], "154": [5, 145, 152, 153, 154], "155": [5, 146, 150, 152, 154, 155], "156": [8, 143, 156, 157, 158], "157": [8, 143, 156, 157, 159, 160], "158": [9, 143, 158, 159], "159": [9, 143, 158, 159, 161], "160": [8, 146, 156, 160, 161], "161": [9, 146, 158, 161], "162": [12, 147, 149, 157, 162, 163, 164, 166], "163": [15, 147, 149, 159, 163, 165, 167], "164": [12, 147, 150, 156, 162, 164, 165], "165": [15, 147, 150, 158, 163, 165], "166": [12, 148, 155, 160, 164, 166, 167], "167": [15, 148, 155, 161, 165, 167], "168": [3, 143, 168, 171, 172, 173], "169": [4, 144, 169, 170], "170": [4, 145, 169, 170], "171": [3, 145, 169, 171, 172], "172": [3, 144, 170, 171, 172], "173": [4, 143, 169, 170, 173], "174": [6, 143, 174], "175": [10, 147, 168, 174, 175, 176], "176": [11, 147, 173, 174, 176], "177": [21, 149, 150, 168, 177, 180, 181, 182], "178": [20, 151, 152, 169, 178, 179], "179": [20, 153, 154, 170, 178, 179], "180": [21, 153, 154, 171, 178, 180, 181], "181": [21, 151, 152, 172, 179, 180, 181], "182": [20, 149, 150, 173, 178, 179, 182], "183": [35, 156, 157, 168, 183, 184, 185, 186], "184": [37, 158, 159, 168, 184], "185": [36, 157, 158, 173, 185, 186], "186": [36, 156, 159, 173, 185, 186], "187": [38, 149, 156, 174, 187, 188, 189], "188": [40, 149, 158, 174, 188, 190], "189": [38, 150, 157, 174, 187, 189, 190], "190": [40, 150, 159, 174, 188, 190], "191": [65, 162, 164, 175, 177, 183, 187, 189, 191, 192, 193, 194], "192": [66, 163, 165, 175, 177, 184, 188, 190, 192], "193": [63, 162, 165, 176, 182, 185, 188, 189, 193, 194], "194": [63, 163, 164, 176, 182, 186, 187, 190, 193, 194], "195": [16, 146, 196, 197, 199], "196": [22, 146, 195, 198], "197": [23, 146, 195], "198": [19, 146], "199": [24, 146, 198], "200": [47, 148, 195, 202, 204, 206], "201": [48, 148, 195, 203], "202": [69, 148, 196, 200, 201, 205], "203": [70, 148, 196], "204": [71, 148, 197, 200, 201], "205": [61, 148, 198], "206": [73, 148, 199, 205], "207": [89, 155, 195, 209, 211], "208": [93, 155, 195, 210, 214], "209": [97, 155, 196, 207, 208], "210": [98, 155, 196, 212, 213], "211": [97, 155, 197, 207, 208], "212": [96, 155, 198], "213": [92, 155, 198], "214": [98, 155, 199, 212, 213], "215": [111, 160, 195, 216, 217, 219], "216": [119, 160, 196, 215], "217": [121, 160, 197, 215, 218], "218": [112, 161, 195, 220], "219": [120, 161, 196, 218], "220": [122, 161, 199], "221": [123, 166, 200, 207, 215, 225, 226, 229], "222": [126, 167, 201, 207, 218], "223": [131, 167, 200, 208, 218, 230], "224": [134, 166, 201, 208, 215, 227, 228], "225": [139, 166, 202, 209, 216, 221, 224], "226": [140, 167, 202, 209, 219, 222, 223], "227": [141, 166, 203, 210, 216], "228": [142, 167, 203, 210, 219], "229": [139, 166, 204, 211, 217, 221, 222, 223, 224], "230": [142, 167, 206, 214, 220]}, "point_group_encoding": {"-1": "h", "-3": "hn", "-3m": "fhn", "-4": "m", "-42m": "cm", "-43m": "dml", "-6": "in", "-6m2": "ikn", "1": "a", "2": "c", "2/m": "ch", "222": "bc", "23": "cd", "3": "n", "32": "en", "3m": "kn", "4": "g", "4/m": "gh", "4/mmm": "cgh", "422": "cg", "432": "dg", "4mm": "gj", "6": "bn", "6/m": "bhn", "6/mmm": "benh", "622": "ben", "6mm": "bkn", "m": "j", "m-3": "cdh", "m-3m": "dghl", "mm2": "bj", "mmm": "bch"}, "space_group_encoding": {"Aba2": {"enc": "03aODDbOOOjDDO0", "full_symbol": "Aea2", "int_number": 41, "order": 8, "patterson_symmetry": "Ammm (Cmmm)", "point_group": "mm2"}, "Aea2": {"enc": "03aODDbOOOjDDO0", "full_symbol": "Aea2", "int_number": 41, "order": 8, "patterson_symmetry": "Ammm (Cmmm)", "point_group": "mm2"}, "Abm2": {"enc": "03aODDbOOOjODO0", "full_symbol": "Aem2", "int_number": 39, "order": 8, "patterson_symmetry": "Ammm (Cmmm)", "point_group": "mm2"}, "Aem2": {"enc": "03aODDbOOOjODO0", "full_symbol": "Aem2", "int_number": 39, "order": 8, "patterson_symmetry": "Ammm (Cmmm)", "point_group": "mm2"}, "Ama2": {"enc": "03aODDbOOOjDOO0", "full_symbol": "Ama2", "int_number": 40, "order": 8, "patterson_symmetry": "Ammm (Cmmm)", "point_group": "mm2"}, "Amm2": {"enc": "03aODDbOOOjOOO0", "full_symbol": "Amm2", "int_number": 38, "order": 8, "patterson_symmetry": "Ammm (Cmmm)", "point_group": "mm2"}, "C12/c1": {"enc": "12aDDOcOOD0", "full_symbol": "C12/c1", "int_number": 15, "order": 8, "patterson_symmetry": "C12/m1", "point_group": "2/m"}, "C12/m1": {"enc": "12aDDOcOOO0", "full_symbol": "C12/m1", "int_number": 12, "order": 8, "patterson_symmetry": "C12/m1", "point_group": "2/m"}, "C121": {"enc": "02aDDOcOOO0", "full_symbol": "C121", "int_number": 5, "order": 4, "patterson_symmetry": "C12/m1", "point_group": "2"}, "C1c1": {"enc": "02aDDOjOOD0", "full_symbol": "C1c1", "int_number": 9, "order": 4, "patterson_symmetry": "C12/m1", "point_group": "m"}, "C1m1": {"enc": "02aDDOjOOO0", "full_symbol": "C1m1", "int_number": 8, "order": 4, "patterson_symmetry": "C12/m1", "point_group": "m"}, "C222": {"enc": "03aDDObOOOcOOO0", "full_symbol": "C222", "int_number": 21, "order": 8, "patterson_symmetry": "Cmmm", "point_group": "222"}, "C222_1": {"enc": "03aDDObOODcOOD0", "full_symbol": "C222_1", "int_number": 20, "order": 8, "patterson_symmetry": "Cmmm", "point_group": "222"}, "Ccc2": {"enc": "03aDDObOOOjOOD0", "full_symbol": "Ccc2", "int_number": 37, "order": 8, "patterson_symmetry": "Cmmm", "point_group": "mm2"}, "Ccca": {"enc": "04aDDObDDOcOOOhODD1OBB", "full_symbol": "C2/c2/c2/e", "int_number": 68, "order": 16, "patterson_symmetry": "Cmmm", "point_group": "mmm"}, "Ccce": {"enc": "04aDDObDDOcOOOhODD1OBB", "full_symbol": "C2/c2/c2/e", "int_number": 68, "order": 16, "patterson_symmetry": "Cmmm", "point_group": "mmm"}, "Cccm": {"enc": "13aDDObOOOcOOD0", "full_symbol": "C2/c2/c2/m", "int_number": 66, "order": 16, "patterson_symmetry": "Cmmm", "point_group": "mmm"}, "Cmc2_1": {"enc": "03aDDObOODjOOD0", "full_symbol": "Cmc2_1", "int_number": 36, "order": 8, "patterson_symmetry": "Cmmm", "point_group": "mm2"}, "Cmce": {"enc": "13aDDObODDcODD0", "full_symbol": "C2/m2/c2_1/e", "int_number": 64, "order": 16, "patterson_symmetry": "Cmmm", "point_group": "mmm"}, "Cmcm": {"enc": "13aDDObOODcOOD0", "full_symbol": "C2/m2/c2_1/m", "int_number": 63, "order": 16, "patterson_symmetry": "Cmmm", "point_group": "mmm"}, "Cmm2": {"enc": "03aDDObOOOjOOO0", "full_symbol": "Cmm2", "int_number": 35, "order": 8, "patterson_symmetry": "Cmmm", "point_group": "mm2"}, "Cmma": {"enc": "13aDDObODOcODO0", "full_symbol": "C2/m2/m2/e", "int_number": 67, "order": 16, "patterson_symmetry": "Cmmm", "point_group": "mmm"}, "Cmme": {"enc": "13aDDObODOcODO0", "full_symbol": "C2/m2/m2/e", "int_number": 67, "order": 16, "patterson_symmetry": "Cmmm", "point_group": "mmm"}, "Cmmm": {"enc": "13aDDObOOOcOOO0", "full_symbol": "C2/m2/m2/m", "int_number": 65, "order": 16, "patterson_symmetry": "Cmmm", "point_group": "mmm"}, "F-43c": {"enc": "06aODDaDODbOOOcOOOdOOOlDDD0", "full_symbol": "F-43c", "int_number": 219, "order": 96, "patterson_symmetry": "Fm-3m", "point_group": "-43m"}, "F-43m": {"enc": "06aODDaDODbOOOcOOOdOOOlOOO0", "full_symbol": "F-43m", "int_number": 216, "order": 96, "patterson_symmetry": "Fm-3m", "point_group": "-43m"}, "F222": {"enc": "04aODDaDODbOOOcOOO0", "full_symbol": "F222", "int_number": 22, "order": 16, "patterson_symmetry": "Fmmm", "point_group": "222"}, "F23": {"enc": "05aODDaDODbOOOcOOOdOOO0", "full_symbol": "F23", "int_number": 196, "order": 48, "patterson_symmetry": "Fm-3", "point_group": "23"}, "F432": {"enc": "06aODDaDODbOOOcOOOdOOOeOOO0", "full_symbol": "F432", "int_number": 209, "order": 96, "patterson_symmetry": "Fm-3m", "point_group": "432"}, "F4_132": {"enc": "06aODDaDODbODDcDDOdOOOeFBF0", "full_symbol": "F4_132", "int_number": 210, "order": 96, "patterson_symmetry": "Fm-3m", "point_group": "432"}, "Fd-3": {"enc": "06aODDaDODbOOOcOOOdOOOhBBB1ZZZ", "full_symbol": "F2/d-3", "int_number": 203, "order": 96, "patterson_symmetry": "Fm-3", "point_group": "m-3"}, "Fd-3c": {"enc": "07aODDaDODbODDcDDOdOOOeFBFhFFF1XXX", "full_symbol": "F4_1/d-32/c", "int_number": 228, "order": 192, "patterson_symmetry": "Fm-3m", "point_group": "m-3m"}, "Fd-3m": {"enc": "07aODDaDODbODDcDDOdOOOeFBFhBBB1ZZZ", "full_symbol": "F4_1/d-32/m", "int_number": 227, "order": 192, "patterson_symmetry": "Fm-3m", "point_group": "m-3m"}, "Fdd2": {"enc": "04aODDaDODbOOOjBBB0", "full_symbol": "Fdd2", "int_number": 43, "order": 16, "patterson_symmetry": "Fmmm", "point_group": "mm2"}, "Fddd": {"enc": "05aODDaDODbOOOcOOOhBBB1ZZZ", "full_symbol": "F2/d2/d2/d", "int_number": 70, "order": 32, "patterson_symmetry": "Fmmm", "point_group": "mmm"}, "Fm-3": {"enc": "15aODDaDODbOOOcOOOdOOO0", "full_symbol": "F2/m-3", 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"03bOOOgOOOjOOO0", "full_symbol": "P4mm", "int_number": 99, "order": 8, "patterson_symmetry": "P4/mmm", "point_group": "4mm"}, "P4nc": {"enc": "03bOOOgOOOjDDD0", "full_symbol": "P4nc", "int_number": 104, "order": 8, "patterson_symmetry": "P4/mmm", "point_group": "4mm"}, "P6": {"enc": "02nOOObOOO0", "full_symbol": "P6", "int_number": 168, "order": 6, "patterson_symmetry": "P6/m", "point_group": "6"}, "P6/m": {"enc": "12nOOObOOO0", "full_symbol": "P6/m", "int_number": 175, "order": 12, "patterson_symmetry": "P6/m", "point_group": "6/m"}, "P6/mcc": {"enc": "13nOOObOOOeOOD0", "full_symbol": "P6/m2/c2/c", "int_number": 192, "order": 24, "patterson_symmetry": "P6/mmm", "point_group": "6/mmm"}, "P6/mmm": {"enc": "13nOOObOOOeOOO0", "full_symbol": "P6/m2/m2/m", "int_number": 191, "order": 24, "patterson_symmetry": "P6/mmm", "point_group": "6/mmm"}, "P622": {"enc": "03nOOObOOOeOOO0", "full_symbol": "P622", "int_number": 177, "order": 12, "patterson_symmetry": "P6/mmm", "point_group": "622"}, "P6_1": {"enc": "02nOOCbOOD0", "full_symbol": "P6_1", "int_number": 169, "order": 6, "patterson_symmetry": "P6/m", "point_group": "6"}, "P6_122": {"enc": "03nOOCbOODeOOC0", "full_symbol": "P6_122", "int_number": 178, "order": 12, "patterson_symmetry": "P6/mmm", "point_group": "622"}, "P6_2": {"enc": "02nOOEbOOO0", "full_symbol": "P6_2", "int_number": 171, "order": 6, "patterson_symmetry": "P6/m", "point_group": "6"}, "P6_222": {"enc": "03nOOEbOOOeOOE0", "full_symbol": "P6_222", "int_number": 180, "order": 12, "patterson_symmetry": "P6/mmm", "point_group": "622"}, "P6_3": {"enc": "02nOOObOOD0", "full_symbol": "P6_3", "int_number": 173, "order": 6, "patterson_symmetry": "P6/m", "point_group": "6"}, "P6_3/m": {"enc": "12nOOObOOD0", "full_symbol": "P6_3/m", "int_number": 176, "order": 12, "patterson_symmetry": "P6/m", "point_group": "6/m"}, "P6_3/mcm": {"enc": "13nOOObOODeOOD0", "full_symbol": "P6_3/m2/c2/m", "int_number": 193, "order": 24, "patterson_symmetry": "P6/mmm", "point_group": "6/mmm"}, "P6_3/mmc": {"enc": "13nOOObOODeOOO0", "full_symbol": "P6_3/m2/m2/c", "int_number": 194, "order": 24, "patterson_symmetry": "P6/mmm", "point_group": "6/mmm"}, "P6_322": {"enc": "03nOOObOODeOOO0", "full_symbol": "P6_322", "int_number": 182, "order": 12, "patterson_symmetry": "P6/mmm", "point_group": "622"}, "P6_3cm": {"enc": "03nOOObOODkOOD0", "full_symbol": "P6_3cm", "int_number": 185, "order": 12, "patterson_symmetry": "P6/mmm", "point_group": "6mm"}, "P6_3mc": {"enc": "03nOOObOODkOOO0", "full_symbol": "P6_3mc", "int_number": 186, "order": 12, "patterson_symmetry": "P6/mmm", "point_group": "6mm"}, "P6_4": {"enc": "02nOOCbOOO0", "full_symbol": "P6_4", "int_number": 172, "order": 6, "patterson_symmetry": "P6/m", "point_group": "6"}, "P6_422": {"enc": "03nOOCbOOOeOOC0", "full_symbol": "P6_422", "int_number": 181, "order": 12, "patterson_symmetry": "P6/mmm", "point_group": "622"}, "P6_5": {"enc": "02nOOEbOOD0", "full_symbol": "P6_5", "int_number": 170, "order": 6, "patterson_symmetry": "P6/m", "point_group": "6"}, "P6_522": {"enc": "03nOOEbOODeOOE0", "full_symbol": "P6_522", "int_number": 179, "order": 12, "patterson_symmetry": "P6/mmm", "point_group": "622"}, "P6cc": {"enc": "03nOOObOOOkOOD0", "full_symbol": "P6cc", "int_number": 184, "order": 12, "patterson_symmetry": "P6/mmm", "point_group": "6mm"}, "P6mm": {"enc": "03nOOObOOOkOOO0", "full_symbol": "P6mm", "int_number": 183, "order": 12, "patterson_symmetry": "P6/mmm", "point_group": "6mm"}, "Pa-3": {"enc": "13bDODcODDdOOO0", "full_symbol": "P2_1/a-3", "int_number": 205, "order": 24, "patterson_symmetry": "Pm-3", "point_group": "m-3"}, "Pba2": {"enc": "02bOOOjDDO0", "full_symbol": "Pba2", "int_number": 32, "order": 4, "patterson_symmetry": "Pmmm", "point_group": "mm2"}, "Pbam": {"enc": "12bOOOcDDO0", "full_symbol": "P2_1/b2_1/a2/m", "int_number": 55, "order": 8, "patterson_symmetry": "Pmmm", "point_group": "mmm"}, "Pban": {"enc": "03bOOOcOOOhDDO1BBO", "full_symbol": "P2/b2/a2/n", "int_number": 50, "order": 8, "patterson_symmetry": "Pmmm", "point_group": "mmm"}, "Pbca": {"enc": "12bDODcODD0", "full_symbol": "P2_1/b2_1/c2_1/a", "int_number": 61, "order": 8, "patterson_symmetry": "Pmmm", "point_group": "mmm"}, "Pbcm": {"enc": "12bOODcODD0", "full_symbol": "P2/b2_1/c2_1/m", "int_number": 57, "order": 8, "patterson_symmetry": "Pmmm", "point_group": "mmm"}, "Pbcn": {"enc": "12bDDDcOOD0", "full_symbol": "P2_1/b2/c2_1/n", "int_number": 60, "order": 8, "patterson_symmetry": "Pmmm", "point_group": "mmm"}, "Pca2_1": {"enc": "02bOODjDOO0", "full_symbol": "Pca2_1", "int_number": 29, "order": 4, "patterson_symmetry": "Pmmm", "point_group": "mm2"}, "Pcc2": {"enc": "02bOOOjOOD0", "full_symbol": "Pcc2", "int_number": 27, "order": 4, "patterson_symmetry": "Pmmm", "point_group": "mm2"}, "Pcca": {"enc": "12bDOOcOOD0", "full_symbol": "P2_1/c2/c2/a", "int_number": 54, "order": 8, "patterson_symmetry": "Pmmm", "point_group": "mmm"}, "Pccm": {"enc": "12bOOOcOOD0", "full_symbol": "P2/c2/c2/m", "int_number": 49, "order": 8, "patterson_symmetry": "Pmmm", "point_group": "mmm"}, "Pccn": {"enc": "12bDDOcODD0", "full_symbol": "P2_1/c2_1/c2/n", "int_number": 56, "order": 8, "patterson_symmetry": "Pmmm", "point_group": "mmm"}, "Pm-3": {"enc": "13bOOOcOOOdOOO0", "full_symbol": "P2/m-3", "int_number": 200, "order": 24, "patterson_symmetry": "Pm-3", "point_group": "m-3"}, "Pm-3m": {"enc": "14bOOOcOOOdOOOeOOO0", "full_symbol": "P4/m-32/m", "int_number": 221, "order": 48, "patterson_symmetry": "Pm-3m", "point_group": "m-3m"}, "Pm-3n": {"enc": "14bOOOcOOOdOOOeDDD0", "full_symbol": "P4_2/m-32/n", "int_number": 223, "order": 48, "patterson_symmetry": "Pm-3m", "point_group": "m-3m"}, "Pma2": {"enc": "02bOOOjDOO0", "full_symbol": "Pma2", "int_number": 28, "order": 4, "patterson_symmetry": "Pmmm", "point_group": "mm2"}, "Pmc2_1": {"enc": "02bOODjOOD0", "full_symbol": "Pmc2_1", "int_number": 26, "order": 4, "patterson_symmetry": "Pmmm", "point_group": "mm2"}, "Pmm2": {"enc": "02bOOOjOOO0", "full_symbol": "Pmm2", "int_number": 25, "order": 4, "patterson_symmetry": "Pmmm", "point_group": "mm2"}, "Pmma": {"enc": "12bDOOcOOO0", "full_symbol": "P2_1/m2/m2/a", "int_number": 51, "order": 8, "patterson_symmetry": "Pmmm", "point_group": "mmm"}, "Pmmm": {"enc": "12bOOOcOOO0", "full_symbol": "P2/m2/m2/m", "int_number": 47, "order": 8, "patterson_symmetry": "Pmmm", "point_group": "mmm"}, "Pmmn": {"enc": "03bOOOcDDOhDDO1BBO", "full_symbol": "P2_1/m2_1/m2/n", "int_number": 59, "order": 8, "patterson_symmetry": "Pmmm", "point_group": "mmm"}, "Pmn2_1": {"enc": "02bDODjDOD0", "full_symbol": "Pmn2_1", "int_number": 31, "order": 4, "patterson_symmetry": "Pmmm", "point_group": "mm2"}, "Pmna": {"enc": "12bDODcDOD0", "full_symbol": "P2/m2/n2_1/a", "int_number": 53, "order": 8, "patterson_symmetry": "Pmmm", "point_group": "mmm"}, "Pn-3": {"enc": "04bOOOcOOOdOOOhDDD1YYY", "full_symbol": "P2/n-3", "int_number": 201, "order": 24, "patterson_symmetry": "Pm-3", "point_group": "m-3"}, "Pn-3m": {"enc": "05bOOOcOOOdOOOeDDDhDDD1YYY", "full_symbol": "P4_2/n-32/m", "int_number": 224, "order": 48, "patterson_symmetry": "Pm-3m", "point_group": "m-3m"}, "Pn-3n": {"enc": "05bOOOcOOOdOOOeOOOhDDD1YYY", "full_symbol": "P4/n-32/n", "int_number": 222, "order": 48, "patterson_symmetry": "Pm-3m", "point_group": "m-3m"}, "Pna2_1": {"enc": "02bOODjDDO0", "full_symbol": "Pna2_1", "int_number": 33, "order": 4, "patterson_symmetry": "Pmmm", "point_group": "mm2"}, "Pnc2": {"enc": "02bOOOjODD0", "full_symbol": "Pnc2", "int_number": 30, "order": 4, "patterson_symmetry": "Pmmm", "point_group": "mm2"}, "Pnma": {"enc": "12bDODcODO0", "full_symbol": "P2_1/n2_1/m2_1/a", "int_number": 62, "order": 8, "patterson_symmetry": "Pmmm", "point_group": "mmm"}, "Pnn2": {"enc": "02bOOOjDDD0", "full_symbol": "Pnn2", "int_number": 34, "order": 4, "patterson_symmetry": "Pmmm", "point_group": "mm2"}, "Pnna": {"enc": "12bDOOcDDD0", "full_symbol": "P2/n2_1/n2/a", "int_number": 52, "order": 8, "patterson_symmetry": "Pmmm", "point_group": "mmm"}, "Pnnm": {"enc": "12bOOOcDDD0", "full_symbol": "P2_1/n2_1/n2/m", "int_number": 58, "order": 8, "patterson_symmetry": "Pmmm", "point_group": "mmm"}, "Pnnn": {"enc": "03bOOOcOOOhDDD1BBB", "full_symbol": "P2/n2/n2/n", "int_number": 48, "order": 8, "patterson_symmetry": "Pmmm", "point_group": "mmm"}, "R-3": {"enc": "12aECCnOOO0", "full_symbol": "R-3", "int_number": 148, "order": 18, "patterson_symmetry": "R-3", "point_group": "-3"}, "R-3c": {"enc": "13aECCnOOOeOOD0", "full_symbol": "R-32/c", "int_number": 167, "order": 36, "patterson_symmetry": "R-3m", "point_group": "-3m"}, "R-3m": {"enc": "13aECCnOOOeOOO0", "full_symbol": "R-32/m", "int_number": 166, "order": 36, "patterson_symmetry": "R-3m", "point_group": "-3m"}, "R3": {"enc": "02aECCnOOO0", "full_symbol": "R3", "int_number": 146, "order": 9, "patterson_symmetry": "R-3", "point_group": "3"}, "R32": {"enc": "03aECCnOOOeOOO0", "full_symbol": "R32", "int_number": 155, "order": 18, "patterson_symmetry": "R-3m", "point_group": "32"}, "R3c": {"enc": "03aECCnOOOkOOD0", "full_symbol": "R3c", "int_number": 161, "order": 18, "patterson_symmetry": "R-3m", "point_group": "3m"}, "R3m": {"enc": "03aECCnOOOkOOO0", "full_symbol": "R3m", "int_number": 160, "order": 18, "patterson_symmetry": "R-3m", "point_group": "3m"}}, "translations": {"A": "1/6", "B": "1/4", "C": "1/3", "D": "1/2", "E": "2/3", "F": "3/4", "G": "5/6", "O": "0", "X": "-3/8", "Y": "-1/4", "Z": "-1/8"}} diff --git a/src/pymatgen/symmetry/symm_ops.json b/src/pymatgen/symmetry/symm_ops.json index 13927a5a1bd..0b845bdf5de 100644 --- a/src/pymatgen/symmetry/symm_ops.json +++ b/src/pymatgen/symmetry/symm_ops.json @@ -1 +1 @@ -[{"symops": ["x,y,z"], "universal_h_m": "P 1", "number": 1, "schoenflies": "C1^1", "hall": " P 1", "hermann_mauguin": "P 1", "crystal_class": "triclinic", "ncsym": ["x,y,z"]}, {"symops": ["x,y,z", "-x,-y,-z"], "universal_h_m": "P -1", "number": 2, "schoenflies": "Ci^1", "hall": "-P 1", "hermann_mauguin": "P -1", "crystal_class": "triclinic", "ncsym": ["x,y,z", "-x,-y,-z"]}, {"symops": ["x,y,z", "-x,y,-z"], "universal_h_m": "P 1 2 1", "number": 3, "schoenflies": "C2^1", "hall": " P 2y", "hermann_mauguin": "P 1 2 1", "crystal_class": "monoclinic", "ncsym": ["x,y,z", "-x,y,-z"]}, {"symops": ["x,y,z", "-x,-y,z"], "universal_h_m": "P 1 1 2", "number": 3, "schoenflies": "C2^1", "hall": " P 2", "hermann_mauguin": "P 1 1 2", "crystal_class": "monoclinic", "ncsym": ["x,y,z", "-x,-y,z"]}, {"symops": ["x,y,z", "x,-y,-z"], "universal_h_m": "P 2 1 1", "number": 3, "schoenflies": "C2^1", "hall": " P 2x", "hermann_mauguin": "P 2 1 1", "crystal_class": "monoclinic", "ncsym": ["x,y,z", "x,-y,-z"]}, {"symops": ["x,y,z", "-x,y+1/2,-z"], "universal_h_m": "P 1 21 1", "number": 4, "schoenflies": "C2^2", "hall": " P 2yb", "hermann_mauguin": "P 1 21 1", "crystal_class": "monoclinic", "ncsym": ["x,y,z", "-x,y+1/2,-z"]}, {"symops": ["x,y,z", "-x,-y,z+1/2"], "universal_h_m": "P 1 1 21", "number": 4, "schoenflies": "C2^2", "hall": " P 2c", "hermann_mauguin": "P 1 1 21", "crystal_class": "monoclinic", "ncsym": ["x,y,z", "-x,-y,z+1/2"]}, {"symops": ["x,y,z", "x+1/2,-y,-z"], "universal_h_m": "P 21 1 1", "number": 4, "schoenflies": "C2^2", "hall": " P 2xa", "hermann_mauguin": "P 21 1 1", "crystal_class": "monoclinic", "ncsym": ["x,y,z", "x+1/2,-y,-z"]}, {"symops": ["x,y,z", "-x,y,-z", "x+1/2,y+1/2,z", "-x+1/2,y+1/2,-z"], "universal_h_m": "C 1 2 1", "number": 5, "schoenflies": "C2^3", "hall": " C 2y", "hermann_mauguin": "C 1 2 1", "crystal_class": "monoclinic", "ncsym": ["x,y,z", "-x,y,-z"]}, {"symops": ["x,y,z", "-x,y,-z", "x,y+1/2,z+1/2", "-x,y+1/2,-z+1/2"], "universal_h_m": "A 1 2 1", "number": 5, "schoenflies": "C2^3", "hall": " A 2y", "hermann_mauguin": "A 1 2 1", "crystal_class": "monoclinic", "ncsym": ["x,y,z", "-x,y,-z"]}, {"symops": ["x,y,z", "-x,y,-z", "x+1/2,y+1/2,z+1/2", "-x+1/2,y+1/2,-z+1/2"], "universal_h_m": "I 1 2 1", "number": 5, "schoenflies": "C2^3", "hall": " I 2y", "hermann_mauguin": "I 1 2 1", "crystal_class": "monoclinic", "ncsym": ["x,y,z", "-x,y,-z"]}, {"symops": ["x,y,z", "-x,-y,z", "x,y+1/2,z+1/2", "-x,-y+1/2,z+1/2"], "universal_h_m": "A 1 1 2", "number": 5, "schoenflies": "C2^3", "hall": " A 2", "hermann_mauguin": "A 1 1 2", "crystal_class": "monoclinic", "ncsym": ["x,y,z", "-x,-y,z"]}, {"symops": ["x,y,z", "-x,-y,z", "x+1/2,y,z+1/2", "-x+1/2,-y,z+1/2"], "universal_h_m": "B 1 1 2", "number": 5, "schoenflies": "C2^3", "hall": " B 2", "hermann_mauguin": "B 1 1 2", "crystal_class": "monoclinic", "ncsym": ["x,y,z", "-x,-y,z"]}, {"symops": ["x,y,z", "-x,-y,z", "x+1/2,y+1/2,z+1/2", "-x+1/2,-y+1/2,z+1/2"], "universal_h_m": "I 1 1 2", "number": 5, "schoenflies": "C2^3", "hall": " I 2", "hermann_mauguin": "I 1 1 2", "crystal_class": "monoclinic", "ncsym": ["x,y,z", "-x,-y,z"]}, {"symops": ["x,y,z", "x,-y,-z", "x+1/2,y,z+1/2", "x+1/2,-y,-z+1/2"], "universal_h_m": "B 2 1 1", "number": 5, "schoenflies": "C2^3", "hall": " B 2x", "hermann_mauguin": "B 2 1 1", "crystal_class": "monoclinic", "ncsym": ["x,y,z", "x,-y,-z"]}, {"symops": ["x,y,z", "x,-y,-z", "x+1/2,y+1/2,z", "x+1/2,-y+1/2,-z"], "universal_h_m": "C 2 1 1", "number": 5, "schoenflies": "C2^3", "hall": " C 2x", "hermann_mauguin": "C 2 1 1", "crystal_class": "monoclinic", "ncsym": ["x,y,z", "x,-y,-z"]}, {"symops": ["x,y,z", "x,-y,-z", "x+1/2,y+1/2,z+1/2", "x+1/2,-y+1/2,-z+1/2"], "universal_h_m": "I 2 1 1", "number": 5, "schoenflies": "C2^3", "hall": " I 2x", "hermann_mauguin": "I 2 1 1", "crystal_class": "monoclinic", "ncsym": ["x,y,z", "x,-y,-z"]}, {"symops": ["x,y,z", "x,-y,z"], "universal_h_m": "P 1 m 1", "number": 6, "schoenflies": "Cs^1", "hall": " P -2y", "hermann_mauguin": "P 1 m 1", "crystal_class": "monoclinic", "ncsym": ["x,y,z", "x,-y,z"]}, {"symops": ["x,y,z", "x,y,-z"], "universal_h_m": "P 1 1 m", "number": 6, "schoenflies": "Cs^1", "hall": " P -2", "hermann_mauguin": "P 1 1 m", "crystal_class": "monoclinic", "ncsym": ["x,y,z", "x,y,-z"]}, {"symops": ["x,y,z", "-x,y,z"], "universal_h_m": "P m 1 1", "number": 6, "schoenflies": "Cs^1", "hall": " P -2x", "hermann_mauguin": "P m 1 1", "crystal_class": "monoclinic", "ncsym": ["x,y,z", "-x,y,z"]}, {"symops": ["x,y,z", "x,-y,z+1/2"], "universal_h_m": "P 1 c 1", "number": 7, "schoenflies": "Cs^2", "hall": " P -2yc", "hermann_mauguin": "P 1 c 1", "crystal_class": "monoclinic", "ncsym": ["x,y,z", "x,-y,z+1/2"]}, {"symops": ["x,y,z", "x+1/2,-y,z+1/2"], "universal_h_m": "P 1 n 1", "number": 7, "schoenflies": "Cs^2", "hall": " P -2yac", "hermann_mauguin": "P 1 n 1", "crystal_class": "monoclinic", "ncsym": ["x,y,z", "x+1/2,-y,z+1/2"]}, {"symops": ["x,y,z", "x+1/2,-y,z"], "universal_h_m": "P 1 a 1", "number": 7, "schoenflies": "Cs^2", "hall": " P -2ya", "hermann_mauguin": "P 1 a 1", "crystal_class": "monoclinic", "ncsym": ["x,y,z", "x+1/2,-y,z"]}, {"symops": ["x,y,z", "x+1/2,y,-z"], "universal_h_m": "P 1 1 a", "number": 7, "schoenflies": "Cs^2", "hall": " P -2a", "hermann_mauguin": "P 1 1 a", "crystal_class": "monoclinic", "ncsym": ["x,y,z", "x+1/2,y,-z"]}, {"symops": ["x,y,z", "x+1/2,y+1/2,-z"], "universal_h_m": "P 1 1 n", "number": 7, "schoenflies": "Cs^2", "hall": " P -2ab", "hermann_mauguin": "P 1 1 n", "crystal_class": "monoclinic", "ncsym": ["x,y,z", "x+1/2,y+1/2,-z"]}, {"symops": ["x,y,z", "x,y+1/2,-z"], "universal_h_m": "P 1 1 b", "number": 7, "schoenflies": "Cs^2", "hall": " P -2b", "hermann_mauguin": "P 1 1 b", "crystal_class": "monoclinic", "ncsym": ["x,y,z", "x,y+1/2,-z"]}, {"symops": ["x,y,z", "-x,y+1/2,z"], "universal_h_m": "P b 1 1", "number": 7, "schoenflies": "Cs^2", "hall": " P -2xb", "hermann_mauguin": "P b 1 1", "crystal_class": "monoclinic", "ncsym": ["x,y,z", "-x,y+1/2,z"]}, {"symops": ["x,y,z", "-x,y+1/2,z+1/2"], "universal_h_m": "P n 1 1", "number": 7, "schoenflies": "Cs^2", "hall": " P -2xbc", "hermann_mauguin": "P n 1 1", "crystal_class": "monoclinic", "ncsym": ["x,y,z", "-x,y+1/2,z+1/2"]}, {"symops": ["x,y,z", "-x,y,z+1/2"], "universal_h_m": "P c 1 1", "number": 7, "schoenflies": "Cs^2", "hall": " P -2xc", "hermann_mauguin": "P c 1 1", "crystal_class": "monoclinic", "ncsym": ["x,y,z", "-x,y,z+1/2"]}, {"symops": ["x,y,z", "x,-y,z", "x+1/2,y+1/2,z", "x+1/2,-y+1/2,z"], "universal_h_m": "C 1 m 1", "number": 8, "schoenflies": "Cs^3", "hall": " C -2y", "hermann_mauguin": "C 1 m 1", "crystal_class": "monoclinic", "ncsym": ["x,y,z", "x,-y,z"]}, {"symops": ["x,y,z", "x,-y,z", "x,y+1/2,z+1/2", "x,-y+1/2,z+1/2"], "universal_h_m": "A 1 m 1", "number": 8, "schoenflies": "Cs^3", "hall": " A -2y", "hermann_mauguin": "A 1 m 1", "crystal_class": "monoclinic", "ncsym": ["x,y,z", "x,-y,z"]}, {"symops": ["x,y,z", "x,-y,z", "x+1/2,y+1/2,z+1/2", "x+1/2,-y+1/2,z+1/2"], "universal_h_m": "I 1 m 1", "number": 8, "schoenflies": "Cs^3", "hall": " I -2y", "hermann_mauguin": "I 1 m 1", "crystal_class": "monoclinic", "ncsym": ["x,y,z", "x,-y,z"]}, {"symops": ["x,y,z", "x,y,-z", "x,y+1/2,z+1/2", "x,y+1/2,-z+1/2"], "universal_h_m": "A 1 1 m", "number": 8, "schoenflies": "Cs^3", "hall": " A -2", "hermann_mauguin": "A 1 1 m", "crystal_class": "monoclinic", "ncsym": ["x,y,z", "x,y,-z"]}, {"symops": ["x,y,z", "x,y,-z", "x+1/2,y,z+1/2", "x+1/2,y,-z+1/2"], "universal_h_m": "B 1 1 m", "number": 8, "schoenflies": "Cs^3", "hall": " B -2", "hermann_mauguin": "B 1 1 m", "crystal_class": "monoclinic", "ncsym": ["x,y,z", "x,y,-z"]}, {"symops": ["x,y,z", "x,y,-z", "x+1/2,y+1/2,z+1/2", "x+1/2,y+1/2,-z+1/2"], "universal_h_m": "I 1 1 m", "number": 8, "schoenflies": "Cs^3", "hall": " I -2", "hermann_mauguin": "I 1 1 m", "crystal_class": "monoclinic", "ncsym": ["x,y,z", "x,y,-z"]}, {"symops": ["x,y,z", "-x,y,z", "x+1/2,y,z+1/2", "-x+1/2,y,z+1/2"], "universal_h_m": "B m 1 1", "number": 8, "schoenflies": "Cs^3", "hall": " B -2x", "hermann_mauguin": "B m 1 1", "crystal_class": "monoclinic", "ncsym": ["x,y,z", "-x,y,z"]}, {"symops": ["x,y,z", "-x,y,z", "x+1/2,y+1/2,z", "-x+1/2,y+1/2,z"], "universal_h_m": "C m 1 1", "number": 8, "schoenflies": "Cs^3", "hall": " C -2x", "hermann_mauguin": "C m 1 1", "crystal_class": "monoclinic", "ncsym": ["x,y,z", "-x,y,z"]}, {"symops": ["x,y,z", "-x,y,z", "x+1/2,y+1/2,z+1/2", "-x+1/2,y+1/2,z+1/2"], "universal_h_m": "I m 1 1", "number": 8, "schoenflies": "Cs^3", "hall": " I -2x", "hermann_mauguin": "I m 1 1", "crystal_class": "monoclinic", "ncsym": ["x,y,z", "-x,y,z"]}, {"symops": ["x,y,z", "x,-y,z+1/2", "x+1/2,y+1/2,z", "x+1/2,-y+1/2,z+1/2"], "universal_h_m": "C 1 c 1", "number": 9, "schoenflies": "Cs^4", "hall": " C -2yc", "hermann_mauguin": "C 1 c 1", "crystal_class": "monoclinic", "ncsym": ["x,y,z", "x,-y,z+1/2"]}, {"symops": ["x,y,z", "x+1/2,-y+1/2,z", "x,y+1/2,z+1/2", "x+1/2,-y+1,z+1/2"], "universal_h_m": "A 1 n 1", "number": 9, "schoenflies": "Cs^4", "hall": " A -2yab", "hermann_mauguin": "A 1 n 1", "crystal_class": "monoclinic", "ncsym": ["x,y,z", "x+1/2,-y+1/2,z"]}, {"symops": ["x,y,z", "x+1/2,-y,z", "x+1/2,y+1/2,z+1/2", "x+1,-y+1/2,z+1/2"], "universal_h_m": "I 1 a 1", "number": 9, "schoenflies": "Cs^4", "hall": " I -2ya", "hermann_mauguin": "I 1 a 1", "crystal_class": "monoclinic", "ncsym": ["x,y,z", "x+1/2,-y,z"]}, {"symops": ["x,y,z", "x+1/2,-y,z", "x,y+1/2,z+1/2", "x+1/2,-y+1/2,z+1/2"], "universal_h_m": "A 1 a 1", "number": 9, "schoenflies": "Cs^4", "hall": " A -2ya", "hermann_mauguin": "A 1 a 1", "crystal_class": "monoclinic", "ncsym": ["x,y,z", "x+1/2,-y,z"]}, {"symops": ["x,y,z", "x+1/2,-y,z+1/2", "x+1/2,y+1/2,z", "x+1,-y+1/2,z+1/2"], "universal_h_m": "C 1 n 1", "number": 9, "schoenflies": "Cs^4", "hall": " C -2yac", "hermann_mauguin": "C 1 n 1", "crystal_class": "monoclinic", "ncsym": ["x,y,z", "x+1/2,-y,z+1/2"]}, {"symops": ["x,y,z", "x,-y,z+1/2", "x+1/2,y+1/2,z+1/2", "x+1/2,-y+1/2,z+1"], "universal_h_m": "I 1 c 1", "number": 9, "schoenflies": "Cs^4", "hall": " I -2yc", "hermann_mauguin": "I 1 c 1", "crystal_class": "monoclinic", "ncsym": ["x,y,z", "x,-y,z+1/2"]}, {"symops": ["x,y,z", "x+1/2,y,-z", "x,y+1/2,z+1/2", "x+1/2,y+1/2,-z+1/2"], "universal_h_m": "A 1 1 a", "number": 9, "schoenflies": "Cs^4", "hall": " A -2a", "hermann_mauguin": "A 1 1 a", "crystal_class": "monoclinic", "ncsym": ["x,y,z", "x+1/2,y,-z"]}, {"symops": ["x,y,z", "x+1/2,y+1/2,-z", "x+1/2,y,z+1/2", "x+1,y+1/2,-z+1/2"], "universal_h_m": "B 1 1 n", "number": 9, "schoenflies": "Cs^4", "hall": " B -2ab", "hermann_mauguin": "B 1 1 n", "crystal_class": "monoclinic", "ncsym": ["x,y,z", "x+1/2,y+1/2,-z"]}, {"symops": ["x,y,z", "x,y+1/2,-z", "x+1/2,y+1/2,z+1/2", "x+1/2,y+1,-z+1/2"], "universal_h_m": "I 1 1 b", "number": 9, "schoenflies": "Cs^4", "hall": " I -2b", "hermann_mauguin": "I 1 1 b", "crystal_class": "monoclinic", "ncsym": ["x,y,z", "x,y+1/2,-z"]}, {"symops": ["x,y,z", "x,y+1/2,-z", "x+1/2,y,z+1/2", "x+1/2,y+1/2,-z+1/2"], "universal_h_m": "B 1 1 b", "number": 9, "schoenflies": "Cs^4", "hall": " B -2b", "hermann_mauguin": "B 1 1 b", "crystal_class": "monoclinic", "ncsym": ["x,y,z", "x,y+1/2,-z"]}, {"symops": ["x,y,z", "x+1/2,y+1/2,-z", "x,y+1/2,z+1/2", "x+1/2,y+1,-z+1/2"], "universal_h_m": "A 1 1 n", "number": 9, "schoenflies": "Cs^4", "hall": " A -2ab", "hermann_mauguin": "A 1 1 n", "crystal_class": "monoclinic", "ncsym": ["x,y,z", "x+1/2,y+1/2,-z"]}, {"symops": ["x,y,z", "x+1/2,y,-z", "x+1/2,y+1/2,z+1/2", "x+1,y+1/2,-z+1/2"], "universal_h_m": "I 1 1 a", "number": 9, "schoenflies": "Cs^4", "hall": " I -2a", "hermann_mauguin": "I 1 1 a", "crystal_class": "monoclinic", "ncsym": ["x,y,z", "x+1/2,y,-z"]}, {"symops": ["x,y,z", "-x,y+1/2,z", "x+1/2,y,z+1/2", "-x+1/2,y+1/2,z+1/2"], "universal_h_m": "B b 1 1", "number": 9, "schoenflies": "Cs^4", "hall": " B -2xb", "hermann_mauguin": "B b 1 1", "crystal_class": "monoclinic", "ncsym": ["x,y,z", "-x,y+1/2,z"]}, {"symops": ["x,y,z", "-x+1/2,y,z+1/2", "x+1/2,y+1/2,z", "-x+1,y+1/2,z+1/2"], "universal_h_m": "C n 1 1", "number": 9, "schoenflies": "Cs^4", "hall": " C -2xac", "hermann_mauguin": "C n 1 1", "crystal_class": "monoclinic", "ncsym": ["x,y,z", "-x+1/2,y,z+1/2"]}, {"symops": ["x,y,z", "-x,y,z+1/2", "x+1/2,y+1/2,z+1/2", "-x+1/2,y+1/2,z+1"], "universal_h_m": "I c 1 1", "number": 9, "schoenflies": "Cs^4", "hall": " I -2xc", "hermann_mauguin": "I c 1 1", "crystal_class": "monoclinic", "ncsym": ["x,y,z", "-x,y,z+1/2"]}, {"symops": ["x,y,z", "-x,y,z+1/2", "x+1/2,y+1/2,z", "-x+1/2,y+1/2,z+1/2"], "universal_h_m": "C c 1 1", "number": 9, "schoenflies": "Cs^4", "hall": " C -2xc", "hermann_mauguin": "C c 1 1", "crystal_class": "monoclinic", "ncsym": ["x,y,z", "-x,y,z+1/2"]}, {"symops": ["x,y,z", "-x+1/2,y+1/2,z", "x+1/2,y,z+1/2", "-x+1,y+1/2,z+1/2"], "universal_h_m": "B n 1 1", "number": 9, "schoenflies": "Cs^4", "hall": " B -2xab", "hermann_mauguin": "B n 1 1", "crystal_class": "monoclinic", "ncsym": ["x,y,z", "-x+1/2,y+1/2,z"]}, {"symops": ["x,y,z", "-x,y+1/2,z", "x+1/2,y+1/2,z+1/2", "-x+1/2,y+1,z+1/2"], "universal_h_m": "I b 1 1", "number": 9, "schoenflies": "Cs^4", "hall": " I -2xb", "hermann_mauguin": "I b 1 1", "crystal_class": "monoclinic", "ncsym": ["x,y,z", "-x,y+1/2,z"]}, {"symops": ["x,y,z", "-x,y,-z", "-x,-y,-z", "x,-y,z"], "universal_h_m": "P 1 2/m 1", "number": 10, "schoenflies": "C2h^1", "hall": "-P 2y", "hermann_mauguin": "P 1 2/m 1", "crystal_class": "monoclinic", "ncsym": ["x,y,z", "-x,y,-z", "-x,-y,-z", "x,-y,z"]}, {"symops": ["x,y,z", "-x,-y,z", "-x,-y,-z", "x,y,-z"], "universal_h_m": "P 1 1 2/m", "number": 10, "schoenflies": "C2h^1", "hall": "-P 2", "hermann_mauguin": "P 1 1 2/m", "crystal_class": "monoclinic", "ncsym": ["x,y,z", "-x,-y,z", "-x,-y,-z", "x,y,-z"]}, {"symops": ["x,y,z", "x,-y,-z", "-x,-y,-z", "-x,y,z"], "universal_h_m": "P 2/m 1 1", "number": 10, "schoenflies": "C2h^1", "hall": "-P 2x", "hermann_mauguin": "P 2/m 1 1", "crystal_class": "monoclinic", "ncsym": ["x,y,z", "x,-y,-z", "-x,-y,-z", "-x,y,z"]}, {"symops": ["x,y,z", "-x,y+1/2,-z", "-x,-y,-z", "x,-y-1/2,z"], "universal_h_m": "P 1 21/m 1", "number": 11, "schoenflies": "C2h^2", "hall": "-P 2yb", "hermann_mauguin": "P 1 21/m 1", "crystal_class": "monoclinic", "ncsym": ["x,y,z", "-x,y+1/2,-z", "-x,-y,-z", "x,-y-1/2,z"]}, {"symops": ["x,y,z", "-x,-y,z+1/2", "-x,-y,-z", "x,y,-z-1/2"], "universal_h_m": "P 1 1 21/m", "number": 11, "schoenflies": "C2h^2", "hall": "-P 2c", "hermann_mauguin": "P 1 1 21/m", "crystal_class": "monoclinic", "ncsym": ["x,y,z", "-x,-y,z+1/2", "-x,-y,-z", "x,y,-z-1/2"]}, {"symops": ["x,y,z", "x+1/2,-y,-z", "-x,-y,-z", "-x-1/2,y,z"], "universal_h_m": "P 21/m 1 1", "number": 11, "schoenflies": "C2h^2", "hall": "-P 2xa", "hermann_mauguin": "P 21/m 1 1", "crystal_class": "monoclinic", "ncsym": ["x,y,z", "x+1/2,-y,-z", "-x,-y,-z", "-x-1/2,y,z"]}, {"symops": ["x,y,z", "-x,y,-z", "-x,-y,-z", "x,-y,z", "x+1/2,y+1/2,z", "-x+1/2,y+1/2,-z", "-x+1/2,-y+1/2,-z", "x+1/2,-y+1/2,z"], "universal_h_m": "C 1 2/m 1", "number": 12, "schoenflies": "C2h^3", "hall": "-C 2y", "hermann_mauguin": "C 1 2/m 1", "crystal_class": "monoclinic", "ncsym": ["x,y,z", "-x,y,-z", "-x,-y,-z", "x,-y,z"]}, {"symops": ["x,y,z", "-x,y,-z", "-x,-y,-z", "x,-y,z", 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"-x,-y,-z", "x-1/2,-y,z", "x,y+1/2,z+1/2", "-x+1/2,y+1/2,-z+1/2", "-x,-y+1/2,-z+1/2", "x-1/2,-y+1/2,z+1/2"], "universal_h_m": "A 1 2/a 1", "number": 15, "schoenflies": "C2h^6", "hall": "-A 2ya", "hermann_mauguin": "A 1 2/a 1", "crystal_class": "monoclinic", "ncsym": ["x,y,z", "-x+1/2,y,-z", "-x,-y,-z", "x-1/2,-y,z"]}, {"symops": ["x,y,z", "-x+1/2,y,-z+1/2", "-x,-y,-z", "x-1/2,-y,z-1/2", "x+1/2,y+1/2,z", "-x+1,y+1/2,-z+1/2", "-x+1/2,-y+1/2,-z", "x,-y+1/2,z-1/2"], "universal_h_m": "C 1 2/n 1", "number": 15, "schoenflies": "C2h^6", "hall": "-C 2yac", "hermann_mauguin": "C 1 2/n 1", "crystal_class": "monoclinic", "ncsym": ["x,y,z", "-x+1/2,y,-z+1/2", "-x,-y,-z", "x-1/2,-y,z-1/2"]}, {"symops": ["x,y,z", "-x,y,-z+1/2", "-x,-y,-z", "x,-y,z-1/2", "x+1/2,y+1/2,z+1/2", "-x+1/2,y+1/2,-z+1", "-x+1/2,-y+1/2,-z+1/2", "x+1/2,-y+1/2,z"], "universal_h_m": "I 1 2/c 1", "number": 15, "schoenflies": "C2h^6", "hall": "-I 2yc", "hermann_mauguin": "I 1 2/c 1", "crystal_class": "monoclinic", "ncsym": ["x,y,z", "-x,y,-z+1/2", "-x,-y,-z", "x,-y,z-1/2"]}, {"symops": ["x,y,z", "-x+1/2,-y,z", "-x,-y,-z", "x-1/2,y,-z", "x,y+1/2,z+1/2", "-x+1/2,-y+1/2,z+1/2", "-x,-y+1/2,-z+1/2", "x-1/2,y+1/2,-z+1/2"], "universal_h_m": "A 1 1 2/a", "number": 15, "schoenflies": "C2h^6", "hall": "-A 2a", "hermann_mauguin": "A 1 1 2/a", "crystal_class": "monoclinic", "ncsym": ["x,y,z", "-x+1/2,-y,z", "-x,-y,-z", "x-1/2,y,-z"]}, {"symops": ["x,y,z", "-x+1/2,-y+1/2,z", "-x,-y,-z", "x-1/2,y-1/2,-z", "x+1/2,y,z+1/2", "-x+1,-y+1/2,z+1/2", "-x+1/2,-y,-z+1/2", "x,y-1/2,-z+1/2"], "universal_h_m": "B 1 1 2/n", "number": 15, "schoenflies": "C2h^6", "hall": "-B 2ab", "hermann_mauguin": "B 1 1 2/n", "crystal_class": "monoclinic", "ncsym": ["x,y,z", "-x+1/2,-y+1/2,z", "-x,-y,-z", "x-1/2,y-1/2,-z"]}, {"symops": ["x,y,z", "-x,-y+1/2,z", "-x,-y,-z", "x,y-1/2,-z", "x+1/2,y+1/2,z+1/2", "-x+1/2,-y+1,z+1/2", "-x+1/2,-y+1/2,-z+1/2", "x+1/2,y,-z+1/2"], "universal_h_m": "I 1 1 2/b", "number": 15, "schoenflies": "C2h^6", "hall": "-I 2b", "hermann_mauguin": "I 1 1 2/b", "crystal_class": "monoclinic", "ncsym": ["x,y,z", "-x,-y+1/2,z", "-x,-y,-z", "x,y-1/2,-z"]}, {"symops": ["x,y,z", "-x,-y+1/2,z", "-x,-y,-z", "x,y-1/2,-z", "x+1/2,y,z+1/2", "-x+1/2,-y+1/2,z+1/2", "-x+1/2,-y,-z+1/2", "x+1/2,y-1/2,-z+1/2"], "universal_h_m": "B 1 1 2/b", "number": 15, "schoenflies": "C2h^6", "hall": "-B 2b", "hermann_mauguin": "B 1 1 2/b", "crystal_class": "monoclinic", "ncsym": ["x,y,z", "-x,-y+1/2,z", "-x,-y,-z", "x,y-1/2,-z"]}, {"symops": ["x,y,z", "-x+1/2,-y+1/2,z", "-x,-y,-z", "x-1/2,y-1/2,-z", "x,y+1/2,z+1/2", "-x+1/2,-y+1,z+1/2", "-x,-y+1/2,-z+1/2", "x-1/2,y,-z+1/2"], "universal_h_m": "A 1 1 2/n", "number": 15, "schoenflies": "C2h^6", "hall": "-A 2ab", "hermann_mauguin": "A 1 1 2/n", "crystal_class": "monoclinic", "ncsym": ["x,y,z", "-x+1/2,-y+1/2,z", "-x,-y,-z", "x-1/2,y-1/2,-z"]}, {"symops": ["x,y,z", "-x+1/2,-y,z", "-x,-y,-z", "x-1/2,y,-z", "x+1/2,y+1/2,z+1/2", "-x+1,-y+1/2,z+1/2", "-x+1/2,-y+1/2,-z+1/2", "x,y+1/2,-z+1/2"], "universal_h_m": "I 1 1 2/a", "number": 15, "schoenflies": "C2h^6", "hall": "-I 2a", "hermann_mauguin": "I 1 1 2/a", "crystal_class": "monoclinic", "ncsym": ["x,y,z", "-x+1/2,-y,z", "-x,-y,-z", "x-1/2,y,-z"]}, {"symops": ["x,y,z", "x,-y+1/2,-z", "-x,-y,-z", "-x,y-1/2,z", "x+1/2,y,z+1/2", "x+1/2,-y+1/2,-z+1/2", "-x+1/2,-y,-z+1/2", "-x+1/2,y-1/2,z+1/2"], "universal_h_m": "B 2/b 1 1", "number": 15, "schoenflies": "C2h^6", "hall": "-B 2xb", "hermann_mauguin": "B 2/b 1 1", "crystal_class": "monoclinic", "ncsym": ["x,y,z", "x,-y+1/2,-z", "-x,-y,-z", "-x,y-1/2,z"]}, {"symops": ["x,y,z", "x+1/2,-y,-z+1/2", "-x,-y,-z", "-x-1/2,y,z-1/2", "x+1/2,y+1/2,z", "x+1,-y+1/2,-z+1/2", "-x+1/2,-y+1/2,-z", "-x,y+1/2,z-1/2"], "universal_h_m": "C 2/n 1 1", "number": 15, "schoenflies": "C2h^6", "hall": "-C 2xac", "hermann_mauguin": "C 2/n 1 1", "crystal_class": "monoclinic", "ncsym": ["x,y,z", "x+1/2,-y,-z+1/2", "-x,-y,-z", "-x-1/2,y,z-1/2"]}, {"symops": ["x,y,z", "x,-y,-z+1/2", "-x,-y,-z", "-x,y,z-1/2", "x+1/2,y+1/2,z+1/2", "x+1/2,-y+1/2,-z+1", "-x+1/2,-y+1/2,-z+1/2", "-x+1/2,y+1/2,z"], "universal_h_m": "I 2/c 1 1", "number": 15, "schoenflies": "C2h^6", "hall": "-I 2xc", "hermann_mauguin": "I 2/c 1 1", "crystal_class": "monoclinic", "ncsym": ["x,y,z", "x,-y,-z+1/2", "-x,-y,-z", "-x,y,z-1/2"]}, {"symops": ["x,y,z", "x,-y,-z+1/2", "-x,-y,-z", "-x,y,z-1/2", "x+1/2,y+1/2,z", "x+1/2,-y+1/2,-z+1/2", "-x+1/2,-y+1/2,-z", "-x+1/2,y+1/2,z-1/2"], "universal_h_m": "C 2/c 1 1", "number": 15, "schoenflies": "C2h^6", "hall": "-C 2xc", "hermann_mauguin": "C 2/c 1 1", "crystal_class": "monoclinic", "ncsym": ["x,y,z", "x,-y,-z+1/2", "-x,-y,-z", "-x,y,z-1/2"]}, {"symops": ["x,y,z", "x+1/2,-y+1/2,-z", "-x,-y,-z", "-x-1/2,y-1/2,z", "x+1/2,y,z+1/2", "x+1,-y+1/2,-z+1/2", "-x+1/2,-y,-z+1/2", "-x,y-1/2,z+1/2"], "universal_h_m": "B 2/n 1 1", "number": 15, "schoenflies": "C2h^6", "hall": "-B 2xab", "hermann_mauguin": "B 2/n 1 1", "crystal_class": "monoclinic", "ncsym": ["x,y,z", "x+1/2,-y+1/2,-z", "-x,-y,-z", "-x-1/2,y-1/2,z"]}, {"symops": ["x,y,z", "x,-y+1/2,-z", "-x,-y,-z", "-x,y-1/2,z", "x+1/2,y+1/2,z+1/2", "x+1/2,-y+1,-z+1/2", "-x+1/2,-y+1/2,-z+1/2", "-x+1/2,y,z+1/2"], "universal_h_m": "I 2/b 1 1", "number": 15, "schoenflies": "C2h^6", "hall": "-I 2xb", "hermann_mauguin": "I 2/b 1 1", "crystal_class": "monoclinic", "ncsym": ["x,y,z", "x,-y+1/2,-z", "-x,-y,-z", "-x,y-1/2,z"]}, {"symops": ["x,y,z", "-x,-y,z", "x,-y,-z", "-x,y,-z"], "universal_h_m": "P 2 2 2", "number": 16, "schoenflies": "D2^1", "hall": " P 2 2", "hermann_mauguin": "P 2 2 2", "crystal_class": "orthorhombic", "ncsym": ["x,y,z", "-x,-y,z", "x,-y,-z", "-x,y,-z"]}, {"symops": ["x,y,z", "-x,-y,z+1/2", "x,-y,-z", "-x,y,-z+1/2"], "universal_h_m": "P 2 2 21", "number": 17, "schoenflies": "D2^2", "hall": " P 2c 2", "hermann_mauguin": "P 2 2 21", "crystal_class": "orthorhombic", "ncsym": ["x,y,z", "-x,-y,z+1/2", "x,-y,-z", "-x,y,-z+1/2"]}, {"symops": ["x,y,z", "-x+1/2,-y,z", "x+1/2,-y,-z", "-x,y,-z"], "universal_h_m": "P 21 2 2", "number": 17, "schoenflies": "D2^2", "hall": " P 2a 2a", "hermann_mauguin": "P 21 2 2", "crystal_class": "orthorhombic", "ncsym": ["x,y,z", "-x+1/2,-y,z", "x+1/2,-y,-z", "-x,y,-z"]}, {"symops": ["x,y,z", "-x,-y,z", "x,-y+1/2,-z", "-x,y+1/2,-z"], "universal_h_m": "P 2 21 2", "number": 17, "schoenflies": "D2^2", "hall": " P 2 2b", "hermann_mauguin": "P 2 21 2", "crystal_class": "orthorhombic", "ncsym": ["x,y,z", "-x,-y,z", "x,-y+1/2,-z", "-x,y+1/2,-z"]}, {"symops": ["x,y,z", "-x,-y,z", "x+1/2,-y+1/2,-z", "-x+1/2,y+1/2,-z"], "universal_h_m": "P 21 21 2", "number": 18, "schoenflies": "D2^3", "hall": " P 2 2ab", "hermann_mauguin": "P 21 21 2", "crystal_class": "orthorhombic", "ncsym": ["x,y,z", "-x,-y,z", "x+1/2,-y+1/2,-z", "-x+1/2,y+1/2,-z"]}, {"symops": ["x,y,z", "-x,-y+1/2,z+1/2", "x,-y,-z", "-x,y+1/2,-z+1/2"], "universal_h_m": "P 2 21 21", "number": 18, "schoenflies": "D2^3", "hall": " P 2bc 2", "hermann_mauguin": "P 2 21 21", "crystal_class": "orthorhombic", "ncsym": ["x,y,z", "-x,-y+1/2,z+1/2", "x,-y,-z", "-x,y+1/2,-z+1/2"]}, {"symops": ["x,y,z", "-x+1/2,-y,z+1/2", "x+1/2,-y,-z+1/2", "-x,y,-z"], "universal_h_m": "P 21 2 21", "number": 18, "schoenflies": "D2^3", "hall": " P 2ac 2ac", "hermann_mauguin": "P 21 2 21", "crystal_class": "orthorhombic", "ncsym": ["x,y,z", "-x+1/2,-y,z+1/2", "x+1/2,-y,-z+1/2", "-x,y,-z"]}, {"symops": ["x,y,z", "-x+1/2,-y,z+1/2", "x+1/2,-y+1/2,-z", "-x,y+1/2,-z+1/2"], "universal_h_m": "P 21 21 21", "number": 19, "schoenflies": "D2^4", "hall": " P 2ac 2ab", "hermann_mauguin": "P 21 21 21", "crystal_class": "orthorhombic", "ncsym": ["x,y,z", "-x+1/2,-y,z+1/2", "x+1/2,-y+1/2,-z", "-x,y+1/2,-z+1/2"]}, {"symops": ["x,y,z", "-x,-y,z+1/2", "x,-y,-z", "-x,y,-z+1/2", "x+1/2,y+1/2,z", "-x+1/2,-y+1/2,z+1/2", "x+1/2,-y+1/2,-z", "-x+1/2,y+1/2,-z+1/2"], "universal_h_m": "C 2 2 21", "number": 20, "schoenflies": "D2^5", "hall": " C 2c 2", "hermann_mauguin": "C 2 2 21", "crystal_class": "orthorhombic", "ncsym": ["x,y,z", "-x,-y,z+1/2", "x,-y,-z", "-x,y,-z+1/2"]}, {"symops": ["x,y,z", "-x+1/2,-y,z", "x+1/2,-y,-z", "-x,y,-z", "x,y+1/2,z+1/2", "-x+1/2,-y+1/2,z+1/2", "x+1/2,-y+1/2,-z+1/2", "-x,y+1/2,-z+1/2"], "universal_h_m": "A 21 2 2", "number": 20, "schoenflies": "D2^5", "hall": " A 2a 2a", "hermann_mauguin": "A 21 2 2", "crystal_class": "orthorhombic", "ncsym": ["x,y,z", "-x+1/2,-y,z", "x+1/2,-y,-z", "-x,y,-z"]}, {"symops": ["x,y,z", "-x,-y,z", "x,-y+1/2,-z", "-x,y+1/2,-z", "x+1/2,y,z+1/2", "-x+1/2,-y,z+1/2", "x+1/2,-y+1/2,-z+1/2", "-x+1/2,y+1/2,-z+1/2"], "universal_h_m": "B 2 21 2", "number": 20, "schoenflies": "D2^5", "hall": " B 2 2b", "hermann_mauguin": "B 2 21 2", "crystal_class": "orthorhombic", "ncsym": ["x,y,z", "-x,-y,z", "x,-y+1/2,-z", "-x,y+1/2,-z"]}, {"symops": ["x,y,z", "-x,-y,z", "x,-y,-z", "-x,y,-z", "x+1/2,y+1/2,z", "-x+1/2,-y+1/2,z", "x+1/2,-y+1/2,-z", "-x+1/2,y+1/2,-z"], "universal_h_m": "C 2 2 2", "number": 21, "schoenflies": "D2^6", "hall": " C 2 2", "hermann_mauguin": "C 2 2 2", "crystal_class": "orthorhombic", "ncsym": ["x,y,z", "-x,-y,z", "x,-y,-z", "-x,y,-z"]}, {"symops": ["x,y,z", "-x,-y,z", "x,-y,-z", "-x,y,-z", "x,y+1/2,z+1/2", "-x,-y+1/2,z+1/2", "x,-y+1/2,-z+1/2", "-x,y+1/2,-z+1/2"], "universal_h_m": "A 2 2 2", "number": 21, "schoenflies": "D2^6", "hall": " A 2 2", "hermann_mauguin": "A 2 2 2", "crystal_class": "orthorhombic", "ncsym": ["x,y,z", "-x,-y,z", "x,-y,-z", "-x,y,-z"]}, {"symops": ["x,y,z", "-x,-y,z", "x,-y,-z", "-x,y,-z", "x+1/2,y,z+1/2", "-x+1/2,-y,z+1/2", "x+1/2,-y,-z+1/2", "-x+1/2,y,-z+1/2"], "universal_h_m": "B 2 2 2", "number": 21, "schoenflies": "D2^6", "hall": " B 2 2", "hermann_mauguin": "B 2 2 2", "crystal_class": "orthorhombic", "ncsym": ["x,y,z", "-x,-y,z", "x,-y,-z", "-x,y,-z"]}, {"symops": ["x,y,z", "-x,-y,z", "x,-y,-z", "-x,y,-z", "x,y+1/2,z+1/2", "-x,-y+1/2,z+1/2", "x,-y+1/2,-z+1/2", "-x,y+1/2,-z+1/2", "x+1/2,y,z+1/2", "-x+1/2,-y,z+1/2", "x+1/2,-y,-z+1/2", "-x+1/2,y,-z+1/2", "x+1/2,y+1/2,z", "-x+1/2,-y+1/2,z", "x+1/2,-y+1/2,-z", "-x+1/2,y+1/2,-z"], "universal_h_m": "F 2 2 2", "number": 22, "schoenflies": "D2^7", "hall": " F 2 2", "hermann_mauguin": "F 2 2 2", "crystal_class": "orthorhombic", "ncsym": ["x,y,z", "-x,-y,z", "x,-y,-z", "-x,y,-z"]}, {"symops": ["x,y,z", "-x,-y,z", "x,-y,-z", "-x,y,-z", "x+1/2,y+1/2,z+1/2", "-x+1/2,-y+1/2,z+1/2", "x+1/2,-y+1/2,-z+1/2", "-x+1/2,y+1/2,-z+1/2"], "universal_h_m": "I 2 2 2", "number": 23, "schoenflies": "D2^8", "hall": " I 2 2", "hermann_mauguin": "I 2 2 2", "crystal_class": "orthorhombic", "ncsym": ["x,y,z", "-x,-y,z", "x,-y,-z", "-x,y,-z"]}, {"symops": ["x,y,z", "-x,-y+1/2,z", "x,-y,-z+1/2", "-x,y+1/2,-z+1/2", "x+1/2,y+1/2,z+1/2", "-x+1/2,-y+1,z+1/2", "x+1/2,-y+1/2,-z+1", "-x+1/2,y+1,-z+1"], "universal_h_m": "I 21 21 21", "number": 24, "schoenflies": "D2^9", "hall": " I 2b 2c", "hermann_mauguin": "I 21 21 21", "crystal_class": "orthorhombic", "ncsym": ["x,y,z", "-x,-y+1/2,z", "x,-y,-z+1/2", "-x,y+1/2,-z+1/2"]}, {"symops": ["x,y,z", "-x,-y,z", "-x,y,z", "x,-y,z"], "universal_h_m": "P m m 2", "number": 25, "schoenflies": "C2v^1", "hall": " P 2 -2", "hermann_mauguin": "P m m 2", "crystal_class": "orthorhombic", "ncsym": ["x,y,z", "-x,-y,z", "-x,y,z", "x,-y,z"]}, {"symops": ["x,y,z", "x,y,-z", "x,-y,-z", "x,-y,z"], "universal_h_m": "P 2 m m", "number": 25, "schoenflies": "C2v^1", "hall": " P -2 2", "hermann_mauguin": "P 2 m m", "crystal_class": "orthorhombic", "ncsym": ["x,y,z", "x,y,-z", "x,-y,-z", "x,-y,z"]}, {"symops": ["x,y,z", "x,y,-z", "-x,y,z", "-x,y,-z"], "universal_h_m": "P m 2 m", "number": 25, "schoenflies": "C2v^1", "hall": " P -2 -2", "hermann_mauguin": "P m 2 m", "crystal_class": "orthorhombic", "ncsym": ["x,y,z", "x,y,-z", "-x,y,z", "-x,y,-z"]}, {"symops": ["x,y,z", "-x,-y,z+1/2", "-x,y,z", "x,-y,z+1/2"], "universal_h_m": "P m c 21", "number": 26, "schoenflies": "C2v^2", "hall": " P 2c -2", "hermann_mauguin": "P m c 21", "crystal_class": "orthorhombic", "ncsym": ["x,y,z", "-x,-y,z+1/2", "-x,y,z", "x,-y,z+1/2"]}, {"symops": ["x,y,z", "-x,-y,z+1/2", "-x,y,z+1/2", "x,-y,z"], "universal_h_m": "P c m 21", "number": 26, "schoenflies": "C2v^2", "hall": " P 2c -2c", "hermann_mauguin": "P c m 21", "crystal_class": "orthorhombic", "ncsym": ["x,y,z", "-x,-y,z+1/2", "-x,y,z+1/2", "x,-y,z"]}, {"symops": ["x,y,z", "x+1/2,y,-z", "x+1/2,-y,-z", "x,-y,z"], "universal_h_m": "P 21 m a", "number": 26, "schoenflies": "C2v^2", "hall": " P -2a 2a", "hermann_mauguin": "P 21 m a", "crystal_class": "orthorhombic", "ncsym": ["x,y,z", "x+1/2,y,-z", "x+1/2,-y,-z", "x,-y,z"]}, {"symops": ["x,y,z", "x,y,-z", "x+1/2,-y,-z", "x+1/2,-y,z"], "universal_h_m": "P 21 a m", "number": 26, "schoenflies": "C2v^2", "hall": " P -2 2a", "hermann_mauguin": "P 21 a m", "crystal_class": "orthorhombic", "ncsym": ["x,y,z", "x,y,-z", "x+1/2,-y,-z", "x+1/2,-y,z"]}, {"symops": ["x,y,z", "x,y,-z", "-x,y+1/2,z", "-x,y+1/2,-z"], "universal_h_m": "P b 21 m", "number": 26, "schoenflies": "C2v^2", "hall": " P -2 -2b", "hermann_mauguin": "P b 21 m", "crystal_class": "orthorhombic", "ncsym": ["x,y,z", "x,y,-z", "-x,y+1/2,z", "-x,y+1/2,-z"]}, {"symops": ["x,y,z", "x,y+1/2,-z", "-x,y,z", "-x,y+1/2,-z"], "universal_h_m": "P m 21 b", "number": 26, "schoenflies": "C2v^2", "hall": " P -2b -2", "hermann_mauguin": "P m 21 b", "crystal_class": "orthorhombic", "ncsym": ["x,y,z", "x,y+1/2,-z", "-x,y,z", "-x,y+1/2,-z"]}, {"symops": ["x,y,z", "-x,-y,z", "-x,y,z+1/2", "x,-y,z+1/2"], "universal_h_m": "P c c 2", "number": 27, "schoenflies": "C2v^3", "hall": " P 2 -2c", "hermann_mauguin": "P c c 2", "crystal_class": "orthorhombic", "ncsym": ["x,y,z", "-x,-y,z", "-x,y,z+1/2", "x,-y,z+1/2"]}, {"symops": ["x,y,z", "x+1/2,y,-z", "x,-y,-z", "x+1/2,-y,z"], "universal_h_m": "P 2 a a", "number": 27, "schoenflies": "C2v^3", "hall": " P -2a 2", "hermann_mauguin": "P 2 a a", "crystal_class": "orthorhombic", "ncsym": ["x,y,z", "x+1/2,y,-z", "x,-y,-z", "x+1/2,-y,z"]}, {"symops": ["x,y,z", "x,y+1/2,-z", "-x,y+1/2,z", "-x,y,-z"], "universal_h_m": "P b 2 b", "number": 27, "schoenflies": "C2v^3", "hall": " P -2b -2b", "hermann_mauguin": "P b 2 b", "crystal_class": "orthorhombic", "ncsym": ["x,y,z", "x,y+1/2,-z", "-x,y+1/2,z", "-x,y,-z"]}, {"symops": ["x,y,z", "-x,-y,z", "-x+1/2,y,z", "x+1/2,-y,z"], "universal_h_m": "P m a 2", "number": 28, "schoenflies": "C2v^4", "hall": " P 2 -2a", "hermann_mauguin": "P m a 2", "crystal_class": "orthorhombic", "ncsym": ["x,y,z", "-x,-y,z", "-x+1/2,y,z", "x+1/2,-y,z"]}, {"symops": ["x,y,z", "-x,-y,z", "-x,y+1/2,z", "x,-y+1/2,z"], "universal_h_m": "P b m 2", "number": 28, "schoenflies": "C2v^4", "hall": " P 2 -2b", "hermann_mauguin": "P b m 2", "crystal_class": "orthorhombic", "ncsym": ["x,y,z", "-x,-y,z", "-x,y+1/2,z", "x,-y+1/2,z"]}, {"symops": ["x,y,z", "x,y+1/2,-z", "x,-y,-z", "x,-y+1/2,z"], "universal_h_m": "P 2 m b", "number": 28, "schoenflies": "C2v^4", "hall": " P -2b 2", "hermann_mauguin": "P 2 m b", "crystal_class": "orthorhombic", "ncsym": ["x,y,z", "x,y+1/2,-z", "x,-y,-z", "x,-y+1/2,z"]}, {"symops": ["x,y,z", "x,y,-z+1/2", "x,-y,-z", "x,-y,z+1/2"], "universal_h_m": "P 2 c m", "number": 28, "schoenflies": "C2v^4", "hall": " P -2c 2", "hermann_mauguin": "P 2 c m", "crystal_class": "orthorhombic", "ncsym": ["x,y,z", "x,y,-z+1/2", "x,-y,-z", "x,-y,z+1/2"]}, {"symops": ["x,y,z", "x,y,-z+1/2", "-x,y,z+1/2", "-x,y,-z"], "universal_h_m": "P c 2 m", "number": 28, "schoenflies": "C2v^4", "hall": " P -2c -2c", "hermann_mauguin": "P c 2 m", "crystal_class": "orthorhombic", "ncsym": ["x,y,z", "x,y,-z+1/2", "-x,y,z+1/2", "-x,y,-z"]}, {"symops": ["x,y,z", "x+1/2,y,-z", "-x+1/2,y,z", "-x,y,-z"], "universal_h_m": "P m 2 a", "number": 28, "schoenflies": "C2v^4", "hall": " P -2a -2a", "hermann_mauguin": "P m 2 a", "crystal_class": "orthorhombic", "ncsym": ["x,y,z", "x+1/2,y,-z", "-x+1/2,y,z", "-x,y,-z"]}, {"symops": ["x,y,z", "-x,-y,z+1/2", "-x+1/2,y,z+1/2", "x+1/2,-y,z"], "universal_h_m": "P c a 21", "number": 29, "schoenflies": "C2v^5", "hall": " P 2c -2ac", "hermann_mauguin": "P c a 21", "crystal_class": "orthorhombic", "ncsym": ["x,y,z", "-x,-y,z+1/2", "-x+1/2,y,z+1/2", "x+1/2,-y,z"]}, {"symops": ["x,y,z", "-x,-y,z+1/2", "-x,y+1/2,z", "x,-y+1/2,z+1/2"], "universal_h_m": "P b c 21", "number": 29, "schoenflies": "C2v^5", "hall": " P 2c -2b", "hermann_mauguin": "P b c 21", "crystal_class": "orthorhombic", "ncsym": ["x,y,z", "-x,-y,z+1/2", "-x,y+1/2,z", "x,-y+1/2,z+1/2"]}, {"symops": ["x,y,z", "x,y+1/2,-z", "x+1/2,-y,-z", "x+1/2,-y+1/2,z"], "universal_h_m": "P 21 a b", "number": 29, "schoenflies": "C2v^5", "hall": " P -2b 2a", "hermann_mauguin": "P 21 a b", "crystal_class": "orthorhombic", "ncsym": ["x,y,z", "x,y+1/2,-z", "x+1/2,-y,-z", "x+1/2,-y+1/2,z"]}, {"symops": ["x,y,z", "x+1/2,y,-z+1/2", "x+1/2,-y,-z", "x,-y,z+1/2"], "universal_h_m": "P 21 c a", "number": 29, "schoenflies": "C2v^5", "hall": " P -2ac 2a", "hermann_mauguin": "P 21 c a", "crystal_class": "orthorhombic", "ncsym": ["x,y,z", "x+1/2,y,-z+1/2", "x+1/2,-y,-z", "x,-y,z+1/2"]}, {"symops": ["x,y,z", "x,y+1/2,-z+1/2", "-x,y,z+1/2", "-x,y+1/2,-z"], "universal_h_m": "P c 21 b", "number": 29, "schoenflies": "C2v^5", "hall": " P -2bc -2c", "hermann_mauguin": "P c 21 b", "crystal_class": "orthorhombic", "ncsym": ["x,y,z", "x,y+1/2,-z+1/2", "-x,y,z+1/2", "-x,y+1/2,-z"]}, {"symops": ["x,y,z", "x+1/2,y,-z", "-x+1/2,y+1/2,z", "-x,y+1/2,-z"], "universal_h_m": "P b 21 a", "number": 29, "schoenflies": "C2v^5", "hall": " P -2a -2ab", "hermann_mauguin": "P b 21 a", "crystal_class": "orthorhombic", "ncsym": ["x,y,z", "x+1/2,y,-z", "-x+1/2,y+1/2,z", "-x,y+1/2,-z"]}, {"symops": ["x,y,z", "-x,-y,z", "-x,y+1/2,z+1/2", "x,-y+1/2,z+1/2"], "universal_h_m": "P n c 2", "number": 30, "schoenflies": "C2v^6", "hall": " P 2 -2bc", "hermann_mauguin": "P n c 2", "crystal_class": "orthorhombic", "ncsym": ["x,y,z", "-x,-y,z", "-x,y+1/2,z+1/2", "x,-y+1/2,z+1/2"]}, {"symops": ["x,y,z", "-x,-y,z", "-x+1/2,y,z+1/2", "x+1/2,-y,z+1/2"], "universal_h_m": "P c n 2", "number": 30, "schoenflies": "C2v^6", "hall": " P 2 -2ac", "hermann_mauguin": "P c n 2", "crystal_class": "orthorhombic", "ncsym": ["x,y,z", "-x,-y,z", "-x+1/2,y,z+1/2", "x+1/2,-y,z+1/2"]}, {"symops": ["x,y,z", "x+1/2,y,-z+1/2", "x,-y,-z", "x+1/2,-y,z+1/2"], "universal_h_m": "P 2 n a", "number": 30, "schoenflies": "C2v^6", "hall": " P -2ac 2", "hermann_mauguin": "P 2 n a", "crystal_class": "orthorhombic", "ncsym": ["x,y,z", "x+1/2,y,-z+1/2", "x,-y,-z", "x+1/2,-y,z+1/2"]}, {"symops": ["x,y,z", "x+1/2,y+1/2,-z", "x,-y,-z", "x+1/2,-y+1/2,z"], "universal_h_m": "P 2 a n", "number": 30, "schoenflies": "C2v^6", "hall": " P -2ab 2", "hermann_mauguin": "P 2 a n", "crystal_class": "orthorhombic", "ncsym": ["x,y,z", "x+1/2,y+1/2,-z", "x,-y,-z", "x+1/2,-y+1/2,z"]}, {"symops": ["x,y,z", "x+1/2,y+1/2,-z", "-x+1/2,y+1/2,z", "-x,y,-z"], "universal_h_m": "P b 2 n", "number": 30, "schoenflies": "C2v^6", "hall": " P -2ab -2ab", "hermann_mauguin": "P b 2 n", "crystal_class": "orthorhombic", "ncsym": ["x,y,z", "x+1/2,y+1/2,-z", "-x+1/2,y+1/2,z", "-x,y,-z"]}, {"symops": ["x,y,z", "x,y+1/2,-z+1/2", "-x,y+1/2,z+1/2", "-x,y,-z"], "universal_h_m": "P n 2 b", "number": 30, "schoenflies": "C2v^6", "hall": " P -2bc -2bc", "hermann_mauguin": "P n 2 b", "crystal_class": "orthorhombic", "ncsym": ["x,y,z", "x,y+1/2,-z+1/2", "-x,y+1/2,z+1/2", "-x,y,-z"]}, {"symops": ["x,y,z", "-x+1/2,-y,z+1/2", "-x,y,z", "x+1/2,-y,z+1/2"], "universal_h_m": "P m n 21", "number": 31, "schoenflies": "C2v^7", "hall": " P 2ac -2", "hermann_mauguin": "P m n 21", "crystal_class": "orthorhombic", "ncsym": ["x,y,z", "-x+1/2,-y,z+1/2", "-x,y,z", "x+1/2,-y,z+1/2"]}, {"symops": ["x,y,z", "-x,-y+1/2,z+1/2", "-x,y+1/2,z+1/2", "x,-y,z"], "universal_h_m": "P n m 21", "number": 31, "schoenflies": "C2v^7", "hall": " P 2bc -2bc", "hermann_mauguin": "P n m 21", "crystal_class": "orthorhombic", "ncsym": ["x,y,z", "-x,-y+1/2,z+1/2", "-x,y+1/2,z+1/2", "x,-y,z"]}, {"symops": ["x,y,z", "x+1/2,y+1/2,-z", "x+1/2,-y+1/2,-z", "x,-y,z"], "universal_h_m": "P 21 m n", "number": 31, "schoenflies": "C2v^7", "hall": " P -2ab 2ab", "hermann_mauguin": "P 21 m n", "crystal_class": "orthorhombic", "ncsym": ["x,y,z", "x+1/2,y+1/2,-z", "x+1/2,-y+1/2,-z", "x,-y,z"]}, {"symops": ["x,y,z", "x,y,-z", "x+1/2,-y,-z+1/2", "x+1/2,-y,z+1/2"], "universal_h_m": "P 21 n m", "number": 31, "schoenflies": "C2v^7", "hall": " P -2 2ac", "hermann_mauguin": "P 21 n m", "crystal_class": "orthorhombic", "ncsym": ["x,y,z", "x,y,-z", "x+1/2,-y,-z+1/2", "x+1/2,-y,z+1/2"]}, {"symops": ["x,y,z", "x,y,-z", "-x,y+1/2,z+1/2", "-x,y+1/2,-z+1/2"], "universal_h_m": "P n 21 m", "number": 31, "schoenflies": "C2v^7", "hall": " P -2 -2bc", "hermann_mauguin": "P n 21 m", "crystal_class": "orthorhombic", "ncsym": ["x,y,z", "x,y,-z", "-x,y+1/2,z+1/2", "-x,y+1/2,-z+1/2"]}, {"symops": ["x,y,z", "x+1/2,y+1/2,-z", "-x,y,z", "-x+1/2,y+1/2,-z"], "universal_h_m": "P m 21 n", "number": 31, "schoenflies": "C2v^7", "hall": " P -2ab -2", "hermann_mauguin": "P m 21 n", "crystal_class": "orthorhombic", "ncsym": ["x,y,z", "x+1/2,y+1/2,-z", "-x,y,z", "-x+1/2,y+1/2,-z"]}, {"symops": ["x,y,z", "-x,-y,z", "-x+1/2,y+1/2,z", "x+1/2,-y+1/2,z"], "universal_h_m": "P b a 2", "number": 32, "schoenflies": "C2v^8", "hall": " P 2 -2ab", "hermann_mauguin": "P b a 2", "crystal_class": "orthorhombic", "ncsym": ["x,y,z", "-x,-y,z", "-x+1/2,y+1/2,z", "x+1/2,-y+1/2,z"]}, {"symops": ["x,y,z", "x,y+1/2,-z+1/2", "x,-y,-z", "x,-y+1/2,z+1/2"], "universal_h_m": "P 2 c b", "number": 32, "schoenflies": "C2v^8", "hall": " P -2bc 2", "hermann_mauguin": "P 2 c b", "crystal_class": "orthorhombic", "ncsym": ["x,y,z", "x,y+1/2,-z+1/2", "x,-y,-z", "x,-y+1/2,z+1/2"]}, {"symops": ["x,y,z", "x+1/2,y,-z+1/2", "-x+1/2,y,z+1/2", "-x,y,-z"], "universal_h_m": "P c 2 a", "number": 32, "schoenflies": "C2v^8", "hall": " P -2ac -2ac", "hermann_mauguin": "P c 2 a", "crystal_class": "orthorhombic", "ncsym": ["x,y,z", "x+1/2,y,-z+1/2", "-x+1/2,y,z+1/2", "-x,y,-z"]}, {"symops": ["x,y,z", "-x,-y,z+1/2", "-x+1/2,y+1/2,z+1/2", "x+1/2,-y+1/2,z"], "universal_h_m": "P n a 21", "number": 33, "schoenflies": "C2v^9", "hall": " P 2c -2n", "hermann_mauguin": "P n a 21", "crystal_class": "orthorhombic", "ncsym": ["x,y,z", "-x,-y,z+1/2", "-x+1/2,y+1/2,z+1/2", "x+1/2,-y+1/2,z"]}, {"symops": ["x,y,z", "-x,-y,z+1/2", "-x+1/2,y+1/2,z", "x+1/2,-y+1/2,z+1/2"], "universal_h_m": "P b n 21", "number": 33, "schoenflies": "C2v^9", "hall": " P 2c -2ab", "hermann_mauguin": "P b n 21", "crystal_class": "orthorhombic", "ncsym": ["x,y,z", "-x,-y,z+1/2", "-x+1/2,y+1/2,z", "x+1/2,-y+1/2,z+1/2"]}, {"symops": ["x,y,z", "x,y+1/2,-z+1/2", "x+1/2,-y,-z", "x+1/2,-y+1/2,z+1/2"], "universal_h_m": "P 21 n b", "number": 33, "schoenflies": "C2v^9", "hall": " P -2bc 2a", "hermann_mauguin": "P 21 n b", "crystal_class": "orthorhombic", "ncsym": ["x,y,z", "x,y+1/2,-z+1/2", "x+1/2,-y,-z", "x+1/2,-y+1/2,z+1/2"]}, {"symops": ["x,y,z", "x+1/2,y+1/2,-z+1/2", "x+1/2,-y,-z", "x,-y+1/2,z+1/2"], "universal_h_m": "P 21 c n", "number": 33, "schoenflies": "C2v^9", "hall": " P -2n 2a", "hermann_mauguin": "P 21 c n", "crystal_class": "orthorhombic", "ncsym": ["x,y,z", "x+1/2,y+1/2,-z+1/2", "x+1/2,-y,-z", "x,-y+1/2,z+1/2"]}, {"symops": ["x,y,z", "x+1/2,y+1/2,-z+1/2", "-x+1/2,y,z+1/2", "-x,y+1/2,-z"], "universal_h_m": "P c 21 n", "number": 33, "schoenflies": "C2v^9", "hall": " P -2n -2ac", "hermann_mauguin": "P c 21 n", "crystal_class": "orthorhombic", "ncsym": ["x,y,z", "x+1/2,y+1/2,-z+1/2", "-x+1/2,y,z+1/2", "-x,y+1/2,-z"]}, {"symops": ["x,y,z", "x+1/2,y,-z+1/2", "-x+1/2,y+1/2,z+1/2", "-x,y+1/2,-z"], "universal_h_m": "P n 21 a", "number": 33, "schoenflies": "C2v^9", "hall": " P -2ac -2n", "hermann_mauguin": "P n 21 a", "crystal_class": "orthorhombic", "ncsym": ["x,y,z", "x+1/2,y,-z+1/2", "-x+1/2,y+1/2,z+1/2", "-x,y+1/2,-z"]}, {"symops": ["x,y,z", "-x,-y,z", "-x+1/2,y+1/2,z+1/2", "x+1/2,-y+1/2,z+1/2"], "universal_h_m": "P n n 2", "number": 34, "schoenflies": "C2v^10", "hall": " P 2 -2n", "hermann_mauguin": "P n n 2", "crystal_class": "orthorhombic", "ncsym": ["x,y,z", "-x,-y,z", "-x+1/2,y+1/2,z+1/2", "x+1/2,-y+1/2,z+1/2"]}, {"symops": ["x,y,z", "x+1/2,y+1/2,-z+1/2", "x,-y,-z", "x+1/2,-y+1/2,z+1/2"], "universal_h_m": "P 2 n n", "number": 34, "schoenflies": "C2v^10", "hall": " P -2n 2", "hermann_mauguin": "P 2 n n", "crystal_class": "orthorhombic", "ncsym": ["x,y,z", "x+1/2,y+1/2,-z+1/2", "x,-y,-z", "x+1/2,-y+1/2,z+1/2"]}, {"symops": ["x,y,z", "x+1/2,y+1/2,-z+1/2", "-x+1/2,y+1/2,z+1/2", "-x,y,-z"], "universal_h_m": "P n 2 n", "number": 34, "schoenflies": "C2v^10", "hall": " P -2n -2n", "hermann_mauguin": "P n 2 n", "crystal_class": "orthorhombic", "ncsym": ["x,y,z", "x+1/2,y+1/2,-z+1/2", "-x+1/2,y+1/2,z+1/2", "-x,y,-z"]}, {"symops": ["x,y,z", "-x,-y,z", "-x,y,z", "x,-y,z", "x+1/2,y+1/2,z", "-x+1/2,-y+1/2,z", "-x+1/2,y+1/2,z", "x+1/2,-y+1/2,z"], "universal_h_m": "C m m 2", "number": 35, "schoenflies": "C2v^11", "hall": " C 2 -2", "hermann_mauguin": "C m m 2", "crystal_class": "orthorhombic", "ncsym": ["x,y,z", "-x,-y,z", "-x,y,z", "x,-y,z"]}, {"symops": ["x,y,z", "x,y,-z", "x,-y,-z", "x,-y,z", "x,y+1/2,z+1/2", "x,y+1/2,-z+1/2", "x,-y+1/2,-z+1/2", "x,-y+1/2,z+1/2"], "universal_h_m": "A 2 m m", "number": 35, "schoenflies": "C2v^11", "hall": " A -2 2", "hermann_mauguin": "A 2 m m", "crystal_class": "orthorhombic", "ncsym": ["x,y,z", "x,y,-z", "x,-y,-z", "x,-y,z"]}, {"symops": ["x,y,z", "x,y,-z", "-x,y,z", "-x,y,-z", "x+1/2,y,z+1/2", "x+1/2,y,-z+1/2", "-x+1/2,y,z+1/2", "-x+1/2,y,-z+1/2"], "universal_h_m": "B m 2 m", "number": 35, "schoenflies": "C2v^11", "hall": " B -2 -2", "hermann_mauguin": "B m 2 m", "crystal_class": "orthorhombic", "ncsym": ["x,y,z", "x,y,-z", "-x,y,z", "-x,y,-z"]}, {"symops": ["x,y,z", "-x,-y,z+1/2", "-x,y,z", "x,-y,z+1/2", "x+1/2,y+1/2,z", "-x+1/2,-y+1/2,z+1/2", "-x+1/2,y+1/2,z", "x+1/2,-y+1/2,z+1/2"], "universal_h_m": "C m c 21", "number": 36, "schoenflies": "C2v^12", "hall": " C 2c -2", "hermann_mauguin": "C m c 21", "crystal_class": "orthorhombic", "ncsym": ["x,y,z", "-x,-y,z+1/2", "-x,y,z", "x,-y,z+1/2"]}, {"symops": ["x,y,z", "-x,-y,z+1/2", "-x,y,z+1/2", "x,-y,z", "x+1/2,y+1/2,z", "-x+1/2,-y+1/2,z+1/2", "-x+1/2,y+1/2,z+1/2", "x+1/2,-y+1/2,z"], "universal_h_m": "C c m 21", "number": 36, "schoenflies": "C2v^12", "hall": " C 2c -2c", "hermann_mauguin": "C c m 21", "crystal_class": "orthorhombic", "ncsym": ["x,y,z", "-x,-y,z+1/2", "-x,y,z+1/2", "x,-y,z"]}, {"symops": ["x,y,z", "x+1/2,y,-z", "x+1/2,-y,-z", "x,-y,z", "x,y+1/2,z+1/2", "x+1/2,y+1/2,-z+1/2", "x+1/2,-y+1/2,-z+1/2", "x,-y+1/2,z+1/2"], "universal_h_m": "A 21 m a", "number": 36, "schoenflies": "C2v^12", "hall": " A -2a 2a", "hermann_mauguin": "A 21 m a", "crystal_class": "orthorhombic", "ncsym": ["x,y,z", "x+1/2,y,-z", "x+1/2,-y,-z", "x,-y,z"]}, {"symops": ["x,y,z", "x,y,-z", "x+1/2,-y,-z", "x+1/2,-y,z", "x,y+1/2,z+1/2", "x,y+1/2,-z+1/2", "x+1/2,-y+1/2,-z+1/2", "x+1/2,-y+1/2,z+1/2"], "universal_h_m": "A 21 a m", "number": 36, "schoenflies": "C2v^12", "hall": " A -2 2a", "hermann_mauguin": "A 21 a m", "crystal_class": "orthorhombic", "ncsym": ["x,y,z", "x,y,-z", "x+1/2,-y,-z", "x+1/2,-y,z"]}, {"symops": ["x,y,z", "x,y,-z", "-x,y+1/2,z", "-x,y+1/2,-z", "x+1/2,y,z+1/2", "x+1/2,y,-z+1/2", "-x+1/2,y+1/2,z+1/2", "-x+1/2,y+1/2,-z+1/2"], "universal_h_m": "B b 21 m", "number": 36, "schoenflies": "C2v^12", "hall": " B -2 -2b", "hermann_mauguin": "B b 21 m", "crystal_class": "orthorhombic", "ncsym": ["x,y,z", "x,y,-z", "-x,y+1/2,z", "-x,y+1/2,-z"]}, {"symops": ["x,y,z", "x,y+1/2,-z", "-x,y,z", "-x,y+1/2,-z", "x+1/2,y,z+1/2", "x+1/2,y+1/2,-z+1/2", "-x+1/2,y,z+1/2", "-x+1/2,y+1/2,-z+1/2"], "universal_h_m": "B m 21 b", "number": 36, "schoenflies": "C2v^12", "hall": " B -2b -2", "hermann_mauguin": "B m 21 b", "crystal_class": "orthorhombic", "ncsym": ["x,y,z", "x,y+1/2,-z", "-x,y,z", "-x,y+1/2,-z"]}, {"symops": ["x,y,z", "-x,-y,z", "-x,y,z+1/2", "x,-y,z+1/2", "x+1/2,y+1/2,z", "-x+1/2,-y+1/2,z", "-x+1/2,y+1/2,z+1/2", "x+1/2,-y+1/2,z+1/2"], "universal_h_m": "C c c 2", "number": 37, "schoenflies": "C2v^13", "hall": " C 2 -2c", "hermann_mauguin": "C c c 2", "crystal_class": "orthorhombic", "ncsym": ["x,y,z", "-x,-y,z", "-x,y,z+1/2", "x,-y,z+1/2"]}, {"symops": ["x,y,z", "x+1/2,y,-z", "x,-y,-z", "x+1/2,-y,z", "x,y+1/2,z+1/2", "x+1/2,y+1/2,-z+1/2", "x,-y+1/2,-z+1/2", "x+1/2,-y+1/2,z+1/2"], "universal_h_m": "A 2 a a", "number": 37, "schoenflies": "C2v^13", "hall": " A -2a 2", "hermann_mauguin": "A 2 a a", "crystal_class": "orthorhombic", "ncsym": ["x,y,z", "x+1/2,y,-z", "x,-y,-z", "x+1/2,-y,z"]}, {"symops": ["x,y,z", "x,y+1/2,-z", "-x,y+1/2,z", "-x,y,-z", "x+1/2,y,z+1/2", "x+1/2,y+1/2,-z+1/2", "-x+1/2,y+1/2,z+1/2", "-x+1/2,y,-z+1/2"], "universal_h_m": "B b 2 b", "number": 37, "schoenflies": "C2v^13", "hall": " B -2b -2b", "hermann_mauguin": "B b 2 b", "crystal_class": "orthorhombic", "ncsym": ["x,y,z", "x,y+1/2,-z", "-x,y+1/2,z", "-x,y,-z"]}, {"symops": ["x,y,z", "-x,-y,z", "-x,y,z", "x,-y,z", "x,y+1/2,z+1/2", "-x,-y+1/2,z+1/2", "-x,y+1/2,z+1/2", "x,-y+1/2,z+1/2"], "universal_h_m": "A m m 2", "number": 38, "schoenflies": "C2v^14", "hall": " A 2 -2", "hermann_mauguin": "A m m 2", "crystal_class": "orthorhombic", "ncsym": ["x,y,z", "-x,-y,z", "-x,y,z", "x,-y,z"]}, {"symops": ["x,y,z", "-x,-y,z", "-x,y,z", "x,-y,z", "x+1/2,y,z+1/2", "-x+1/2,-y,z+1/2", "-x+1/2,y,z+1/2", "x+1/2,-y,z+1/2"], "universal_h_m": "B m m 2", "number": 38, "schoenflies": "C2v^14", "hall": " B 2 -2", "hermann_mauguin": "B m m 2", "crystal_class": "orthorhombic", "ncsym": ["x,y,z", "-x,-y,z", "-x,y,z", "x,-y,z"]}, {"symops": ["x,y,z", "x,y,-z", "x,-y,-z", "x,-y,z", "x+1/2,y,z+1/2", "x+1/2,y,-z+1/2", "x+1/2,-y,-z+1/2", "x+1/2,-y,z+1/2"], "universal_h_m": "B 2 m m", "number": 38, "schoenflies": "C2v^14", "hall": " B -2 2", "hermann_mauguin": "B 2 m m", "crystal_class": "orthorhombic", "ncsym": ["x,y,z", "x,y,-z", "x,-y,-z", "x,-y,z"]}, {"symops": ["x,y,z", "x,y,-z", "x,-y,-z", "x,-y,z", "x+1/2,y+1/2,z", "x+1/2,y+1/2,-z", "x+1/2,-y+1/2,-z", "x+1/2,-y+1/2,z"], "universal_h_m": "C 2 m m", "number": 38, "schoenflies": "C2v^14", "hall": " C -2 2", "hermann_mauguin": "C 2 m m", "crystal_class": "orthorhombic", "ncsym": ["x,y,z", "x,y,-z", "x,-y,-z", "x,-y,z"]}, {"symops": ["x,y,z", "x,y,-z", "-x,y,z", "-x,y,-z", "x+1/2,y+1/2,z", "x+1/2,y+1/2,-z", "-x+1/2,y+1/2,z", "-x+1/2,y+1/2,-z"], "universal_h_m": "C m 2 m", "number": 38, "schoenflies": "C2v^14", "hall": " C -2 -2", "hermann_mauguin": "C m 2 m", "crystal_class": "orthorhombic", "ncsym": ["x,y,z", "x,y,-z", "-x,y,z", "-x,y,-z"]}, {"symops": ["x,y,z", "x,y,-z", "-x,y,z", "-x,y,-z", "x,y+1/2,z+1/2", "x,y+1/2,-z+1/2", "-x,y+1/2,z+1/2", "-x,y+1/2,-z+1/2"], "universal_h_m": "A m 2 m", "number": 38, "schoenflies": "C2v^14", "hall": " A -2 -2", "hermann_mauguin": "A m 2 m", "crystal_class": "orthorhombic", "ncsym": ["x,y,z", "x,y,-z", "-x,y,z", "-x,y,-z"]}, {"symops": ["x,y,z", "-x,-y,z", "-x,y+1/2,z", "x,-y+1/2,z", "x,y+1/2,z+1/2", "-x,-y+1/2,z+1/2", "-x,y+1,z+1/2", "x,-y+1,z+1/2"], "universal_h_m": "A e m 2", "number": 39, "schoenflies": "C2v^15", "hall": " A 2 -2b", "hermann_mauguin": "A e m 2", "crystal_class": "orthorhombic", "ncsym": ["x,y,z", "-x,-y,z", "-x,y+1/2,z", "x,-y+1/2,z"]}, {"symops": ["x,y,z", "-x,-y,z", "-x+1/2,y,z", "x+1/2,-y,z", "x+1/2,y,z+1/2", "-x+1/2,-y,z+1/2", "-x+1,y,z+1/2", "x+1,-y,z+1/2"], "universal_h_m": "B m e 2", "number": 39, "schoenflies": "C2v^15", "hall": " B 2 -2a", "hermann_mauguin": "B m e 2", "crystal_class": "orthorhombic", "ncsym": ["x,y,z", "-x,-y,z", "-x+1/2,y,z", "x+1/2,-y,z"]}, {"symops": ["x,y,z", "x+1/2,y,-z", "x,-y,-z", "x+1/2,-y,z", "x+1/2,y,z+1/2", "x+1,y,-z+1/2", "x+1/2,-y,-z+1/2", "x+1,-y,z+1/2"], "universal_h_m": "B 2 e m", "number": 39, "schoenflies": "C2v^15", "hall": " B -2a 2", "hermann_mauguin": "B 2 e m", "crystal_class": "orthorhombic", "ncsym": ["x,y,z", "x+1/2,y,-z", "x,-y,-z", "x+1/2,-y,z"]}, {"symops": ["x,y,z", "x+1/2,y,-z", "x,-y,-z", "x+1/2,-y,z", "x+1/2,y+1/2,z", "x+1,y+1/2,-z", "x+1/2,-y+1/2,-z", "x+1,-y+1/2,z"], "universal_h_m": "C 2 m e", "number": 39, "schoenflies": "C2v^15", "hall": " C -2a 2", "hermann_mauguin": "C 2 m e", "crystal_class": "orthorhombic", "ncsym": ["x,y,z", "x+1/2,y,-z", "x,-y,-z", "x+1/2,-y,z"]}, {"symops": ["x,y,z", "x+1/2,y,-z", "-x+1/2,y,z", "-x,y,-z", "x+1/2,y+1/2,z", "x+1,y+1/2,-z", "-x+1,y+1/2,z", "-x+1/2,y+1/2,-z"], "universal_h_m": "C m 2 e", "number": 39, "schoenflies": "C2v^15", "hall": " C -2a -2a", "hermann_mauguin": "C m 2 e", "crystal_class": "orthorhombic", "ncsym": ["x,y,z", "x+1/2,y,-z", "-x+1/2,y,z", "-x,y,-z"]}, {"symops": ["x,y,z", "x,y+1/2,-z", "-x,y+1/2,z", "-x,y,-z", "x,y+1/2,z+1/2", "x,y+1,-z+1/2", "-x,y+1,z+1/2", "-x,y+1/2,-z+1/2"], "universal_h_m": "A e 2 m", "number": 39, "schoenflies": "C2v^15", "hall": " A -2b -2b", "hermann_mauguin": "A e 2 m", "crystal_class": "orthorhombic", "ncsym": ["x,y,z", "x,y+1/2,-z", "-x,y+1/2,z", "-x,y,-z"]}, {"symops": ["x,y,z", "-x,-y,z", "-x+1/2,y,z", "x+1/2,-y,z", "x,y+1/2,z+1/2", "-x,-y+1/2,z+1/2", "-x+1/2,y+1/2,z+1/2", "x+1/2,-y+1/2,z+1/2"], "universal_h_m": "A m a 2", "number": 40, "schoenflies": "C2v^16", "hall": " A 2 -2a", "hermann_mauguin": "A m a 2", "crystal_class": "orthorhombic", "ncsym": ["x,y,z", "-x,-y,z", "-x+1/2,y,z", "x+1/2,-y,z"]}, {"symops": ["x,y,z", "-x,-y,z", "-x,y+1/2,z", "x,-y+1/2,z", "x+1/2,y,z+1/2", "-x+1/2,-y,z+1/2", "-x+1/2,y+1/2,z+1/2", "x+1/2,-y+1/2,z+1/2"], "universal_h_m": "B b m 2", "number": 40, "schoenflies": "C2v^16", "hall": " B 2 -2b", "hermann_mauguin": "B b m 2", "crystal_class": "orthorhombic", "ncsym": ["x,y,z", "-x,-y,z", "-x,y+1/2,z", "x,-y+1/2,z"]}, {"symops": ["x,y,z", "x,y+1/2,-z", "x,-y,-z", "x,-y+1/2,z", "x+1/2,y,z+1/2", "x+1/2,y+1/2,-z+1/2", "x+1/2,-y,-z+1/2", "x+1/2,-y+1/2,z+1/2"], "universal_h_m": "B 2 m b", "number": 40, "schoenflies": "C2v^16", "hall": " B -2b 2", "hermann_mauguin": "B 2 m b", "crystal_class": "orthorhombic", "ncsym": ["x,y,z", "x,y+1/2,-z", "x,-y,-z", "x,-y+1/2,z"]}, {"symops": ["x,y,z", "x,y,-z+1/2", "x,-y,-z", "x,-y,z+1/2", "x+1/2,y+1/2,z", "x+1/2,y+1/2,-z+1/2", "x+1/2,-y+1/2,-z", "x+1/2,-y+1/2,z+1/2"], "universal_h_m": "C 2 c m", "number": 40, "schoenflies": "C2v^16", "hall": " C -2c 2", "hermann_mauguin": "C 2 c m", "crystal_class": "orthorhombic", "ncsym": ["x,y,z", "x,y,-z+1/2", "x,-y,-z", "x,-y,z+1/2"]}, {"symops": ["x,y,z", "x,y,-z+1/2", "-x,y,z+1/2", "-x,y,-z", "x+1/2,y+1/2,z", "x+1/2,y+1/2,-z+1/2", "-x+1/2,y+1/2,z+1/2", "-x+1/2,y+1/2,-z"], "universal_h_m": "C c 2 m", "number": 40, "schoenflies": "C2v^16", "hall": " C -2c -2c", "hermann_mauguin": "C c 2 m", "crystal_class": "orthorhombic", "ncsym": ["x,y,z", "x,y,-z+1/2", "-x,y,z+1/2", "-x,y,-z"]}, {"symops": ["x,y,z", "x+1/2,y,-z", "-x+1/2,y,z", "-x,y,-z", "x,y+1/2,z+1/2", "x+1/2,y+1/2,-z+1/2", "-x+1/2,y+1/2,z+1/2", "-x,y+1/2,-z+1/2"], "universal_h_m": "A m 2 a", "number": 40, "schoenflies": "C2v^16", "hall": " A -2a -2a", "hermann_mauguin": "A m 2 a", "crystal_class": "orthorhombic", "ncsym": ["x,y,z", "x+1/2,y,-z", "-x+1/2,y,z", "-x,y,-z"]}, {"symops": ["x,y,z", "-x,-y,z", "-x+1/2,y+1/2,z", "x+1/2,-y+1/2,z", "x,y+1/2,z+1/2", "-x,-y+1/2,z+1/2", "-x+1/2,y+1,z+1/2", "x+1/2,-y+1,z+1/2"], "universal_h_m": "A e a 2", "number": 41, "schoenflies": "C2v^17", "hall": " A 2 -2ab", "hermann_mauguin": "A e a 2", "crystal_class": "orthorhombic", "ncsym": ["x,y,z", "-x,-y,z", "-x+1/2,y+1/2,z", "x+1/2,-y+1/2,z"]}, {"symops": ["x,y,z", "-x,-y,z", "-x+1/2,y+1/2,z", "x+1/2,-y+1/2,z", "x+1/2,y,z+1/2", "-x+1/2,-y,z+1/2", "-x+1,y+1/2,z+1/2", "x+1,-y+1/2,z+1/2"], "universal_h_m": "B b e 2", "number": 41, "schoenflies": "C2v^17", "hall": " B 2 -2ab", "hermann_mauguin": "B b e 2", "crystal_class": "orthorhombic", "ncsym": ["x,y,z", "-x,-y,z", "-x+1/2,y+1/2,z", "x+1/2,-y+1/2,z"]}, {"symops": ["x,y,z", "x+1/2,y+1/2,-z", "x,-y,-z", "x+1/2,-y+1/2,z", "x+1/2,y,z+1/2", "x+1,y+1/2,-z+1/2", "x+1/2,-y,-z+1/2", "x+1,-y+1/2,z+1/2"], "universal_h_m": "B 2 e b", "number": 41, "schoenflies": "C2v^17", "hall": " B -2ab 2", "hermann_mauguin": "B 2 e b", "crystal_class": "orthorhombic", "ncsym": ["x,y,z", "x+1/2,y+1/2,-z", "x,-y,-z", "x+1/2,-y+1/2,z"]}, {"symops": ["x,y,z", "x+1/2,y,-z+1/2", "x,-y,-z", "x+1/2,-y,z+1/2", "x+1/2,y+1/2,z", "x+1,y+1/2,-z+1/2", "x+1/2,-y+1/2,-z", "x+1,-y+1/2,z+1/2"], "universal_h_m": "C 2 e b", "number": 41, "schoenflies": "C2v^17", "hall": " C -2ac 2", "hermann_mauguin": "C 2 e b", "crystal_class": "orthorhombic", "ncsym": ["x,y,z", "x+1/2,y,-z+1/2", "x,-y,-z", "x+1/2,-y,z+1/2"]}, {"symops": ["x,y,z", "x+1/2,y,-z+1/2", "-x+1/2,y,z+1/2", "-x,y,-z", "x+1/2,y+1/2,z", "x+1,y+1/2,-z+1/2", "-x+1,y+1/2,z+1/2", "-x+1/2,y+1/2,-z"], "universal_h_m": "C c 2 e", "number": 41, "schoenflies": "C2v^17", "hall": " C -2ac -2ac", "hermann_mauguin": "C c 2 e", "crystal_class": "orthorhombic", "ncsym": ["x,y,z", "x+1/2,y,-z+1/2", "-x+1/2,y,z+1/2", "-x,y,-z"]}, {"symops": ["x,y,z", "x+1/2,y+1/2,-z", "-x+1/2,y+1/2,z", "-x,y,-z", "x,y+1/2,z+1/2", "x+1/2,y+1,-z+1/2", "-x+1/2,y+1,z+1/2", "-x,y+1/2,-z+1/2"], "universal_h_m": "A e 2 a", "number": 41, "schoenflies": "C2v^17", "hall": " A -2ab -2ab", "hermann_mauguin": "A e 2 a", "crystal_class": "orthorhombic", "ncsym": ["x,y,z", "x+1/2,y+1/2,-z", "-x+1/2,y+1/2,z", "-x,y,-z"]}, {"symops": ["x,y,z", "-x,-y,z", "-x,y,z", "x,-y,z", "x,y+1/2,z+1/2", "-x,-y+1/2,z+1/2", "-x,y+1/2,z+1/2", "x,-y+1/2,z+1/2", "x+1/2,y,z+1/2", "-x+1/2,-y,z+1/2", "-x+1/2,y,z+1/2", "x+1/2,-y,z+1/2", "x+1/2,y+1/2,z", "-x+1/2,-y+1/2,z", "-x+1/2,y+1/2,z", "x+1/2,-y+1/2,z"], "universal_h_m": "F m m 2", "number": 42, "schoenflies": "C2v^18", "hall": " F 2 -2", "hermann_mauguin": "F m m 2", "crystal_class": "orthorhombic", "ncsym": ["x,y,z", "-x,-y,z", "-x,y,z", "x,-y,z"]}, {"symops": ["x,y,z", "x,y,-z", "x,-y,-z", "x,-y,z", "x,y+1/2,z+1/2", "x,y+1/2,-z+1/2", "x,-y+1/2,-z+1/2", "x,-y+1/2,z+1/2", "x+1/2,y,z+1/2", "x+1/2,y,-z+1/2", "x+1/2,-y,-z+1/2", "x+1/2,-y,z+1/2", "x+1/2,y+1/2,z", "x+1/2,y+1/2,-z", "x+1/2,-y+1/2,-z", "x+1/2,-y+1/2,z"], "universal_h_m": "F 2 m m", "number": 42, "schoenflies": "C2v^18", "hall": " F -2 2", "hermann_mauguin": "F 2 m m", "crystal_class": "orthorhombic", "ncsym": ["x,y,z", "x,y,-z", "x,-y,-z", "x,-y,z"]}, {"symops": ["x,y,z", "x,y,-z", "-x,y,z", "-x,y,-z", "x,y+1/2,z+1/2", "x,y+1/2,-z+1/2", "-x,y+1/2,z+1/2", "-x,y+1/2,-z+1/2", "x+1/2,y,z+1/2", "x+1/2,y,-z+1/2", "-x+1/2,y,z+1/2", "-x+1/2,y,-z+1/2", "x+1/2,y+1/2,z", "x+1/2,y+1/2,-z", "-x+1/2,y+1/2,z", "-x+1/2,y+1/2,-z"], "universal_h_m": "F m 2 m", "number": 42, "schoenflies": "C2v^18", "hall": " F -2 -2", "hermann_mauguin": "F m 2 m", "crystal_class": "orthorhombic", "ncsym": ["x,y,z", "x,y,-z", "-x,y,z", "-x,y,-z"]}, {"symops": ["x,y,z", "-x,-y,z", "-x+1/4,y+1/4,z+1/4", "x+3/4,-y+3/4,z+1/4", "x,y+1/2,z+1/2", "-x,-y+1/2,z+1/2", "-x+1/4,y+3/4,z+3/4", "x+3/4,-y+5/4,z+3/4", "x+1/2,y,z+1/2", "-x+1/2,-y,z+1/2", "-x+3/4,y+1/4,z+3/4", "x+5/4,-y+3/4,z+3/4", "x+1/2,y+1/2,z", "-x+1/2,-y+1/2,z", "-x+3/4,y+3/4,z+1/4", "x+5/4,-y+5/4,z+1/4"], "universal_h_m": "F d d 2", "number": 43, "schoenflies": "C2v^19", "hall": " F 2 -2d", "hermann_mauguin": "F d d 2", "crystal_class": "orthorhombic", "ncsym": ["x,y,z", "-x,-y,z", "-x+1/4,y+1/4,z+1/4", "x+3/4,-y+3/4,z+1/4"]}, {"symops": ["x,y,z", "x+1/4,y+1/4,-z+1/4", "x,-y,-z", "x+1/4,-y+1/4,z+1/4", "x,y+1/2,z+1/2", "x+1/4,y+3/4,-z+3/4", "x,-y+1/2,-z+1/2", "x+1/4,-y+3/4,z+3/4", "x+1/2,y,z+1/2", "x+3/4,y+1/4,-z+3/4", "x+1/2,-y,-z+1/2", "x+3/4,-y+1/4,z+3/4", "x+1/2,y+1/2,z", "x+3/4,y+3/4,-z+1/4", "x+1/2,-y+1/2,-z", "x+3/4,-y+3/4,z+1/4"], "universal_h_m": "F 2 d d", "number": 43, "schoenflies": "C2v^19", "hall": " F -2d 2", "hermann_mauguin": "F 2 d d", "crystal_class": "orthorhombic", "ncsym": ["x,y,z", "x+1/4,y+1/4,-z+1/4", "x,-y,-z", "x+1/4,-y+1/4,z+1/4"]}, {"symops": ["x,y,z", "x+1/4,y+1/4,-z+1/4", "-x+1/4,y+1/4,z+1/4", "-x+1/2,y+1/2,-z", "x,y+1/2,z+1/2", "x+1/4,y+3/4,-z+3/4", "-x+1/4,y+3/4,z+3/4", "-x+1/2,y+1,-z+1/2", "x+1/2,y,z+1/2", "x+3/4,y+1/4,-z+3/4", "-x+3/4,y+1/4,z+3/4", "-x+1,y+1/2,-z+1/2", "x+1/2,y+1/2,z", "x+3/4,y+3/4,-z+1/4", "-x+3/4,y+3/4,z+1/4", "-x+1,y+1,-z"], "universal_h_m": "F d 2 d", "number": 43, "schoenflies": "C2v^19", "hall": " F -2d -2d", "hermann_mauguin": "F d 2 d", "crystal_class": "orthorhombic", "ncsym": ["x,y,z", "x+1/4,y+1/4,-z+1/4", "-x+1/4,y+1/4,z+1/4", "-x+1/2,y+1/2,-z"]}, {"symops": ["x,y,z", "-x,-y,z", "-x,y,z", "x,-y,z", "x+1/2,y+1/2,z+1/2", "-x+1/2,-y+1/2,z+1/2", "-x+1/2,y+1/2,z+1/2", "x+1/2,-y+1/2,z+1/2"], "universal_h_m": "I m m 2", "number": 44, "schoenflies": "C2v^20", "hall": " I 2 -2", "hermann_mauguin": "I m m 2", "crystal_class": "orthorhombic", "ncsym": ["x,y,z", "-x,-y,z", "-x,y,z", "x,-y,z"]}, {"symops": ["x,y,z", "x,y,-z", "x,-y,-z", "x,-y,z", "x+1/2,y+1/2,z+1/2", "x+1/2,y+1/2,-z+1/2", "x+1/2,-y+1/2,-z+1/2", "x+1/2,-y+1/2,z+1/2"], "universal_h_m": "I 2 m m", "number": 44, "schoenflies": "C2v^20", "hall": " I -2 2", "hermann_mauguin": "I 2 m m", "crystal_class": "orthorhombic", "ncsym": ["x,y,z", "x,y,-z", "x,-y,-z", "x,-y,z"]}, {"symops": ["x,y,z", "x,y,-z", "-x,y,z", "-x,y,-z", "x+1/2,y+1/2,z+1/2", "x+1/2,y+1/2,-z+1/2", "-x+1/2,y+1/2,z+1/2", "-x+1/2,y+1/2,-z+1/2"], "universal_h_m": "I m 2 m", "number": 44, "schoenflies": "C2v^20", "hall": " I -2 -2", "hermann_mauguin": "I m 2 m", "crystal_class": "orthorhombic", "ncsym": ["x,y,z", "x,y,-z", "-x,y,z", "-x,y,-z"]}, {"symops": ["x,y,z", "-x,-y,z", "-x,y,z+1/2", "x,-y,z+1/2", "x+1/2,y+1/2,z+1/2", "-x+1/2,-y+1/2,z+1/2", "-x+1/2,y+1/2,z+1", "x+1/2,-y+1/2,z+1"], "universal_h_m": "I b a 2", "number": 45, "schoenflies": "C2v^21", "hall": " I 2 -2c", "hermann_mauguin": "I b a 2", "crystal_class": "orthorhombic", "ncsym": ["x,y,z", "-x,-y,z", "-x,y,z+1/2", "x,-y,z+1/2"]}, {"symops": ["x,y,z", "x+1/2,y,-z", "x,-y,-z", "x+1/2,-y,z", "x+1/2,y+1/2,z+1/2", "x+1,y+1/2,-z+1/2", "x+1/2,-y+1/2,-z+1/2", "x+1,-y+1/2,z+1/2"], "universal_h_m": "I 2 c b", "number": 45, "schoenflies": "C2v^21", "hall": " I -2a 2", "hermann_mauguin": "I 2 c b", "crystal_class": "orthorhombic", "ncsym": ["x,y,z", "x+1/2,y,-z", "x,-y,-z", "x+1/2,-y,z"]}, {"symops": ["x,y,z", "x,y+1/2,-z", "-x,y+1/2,z", "-x,y,-z", "x+1/2,y+1/2,z+1/2", "x+1/2,y+1,-z+1/2", "-x+1/2,y+1,z+1/2", "-x+1/2,y+1/2,-z+1/2"], "universal_h_m": "I c 2 a", "number": 45, "schoenflies": "C2v^21", "hall": " I -2b -2b", "hermann_mauguin": "I c 2 a", "crystal_class": "orthorhombic", "ncsym": ["x,y,z", "x,y+1/2,-z", "-x,y+1/2,z", "-x,y,-z"]}, {"symops": ["x,y,z", "-x,-y,z", "-x+1/2,y,z", "x+1/2,-y,z", "x+1/2,y+1/2,z+1/2", "-x+1/2,-y+1/2,z+1/2", "-x+1,y+1/2,z+1/2", "x+1,-y+1/2,z+1/2"], "universal_h_m": "I m a 2", "number": 46, "schoenflies": "C2v^22", "hall": " I 2 -2a", "hermann_mauguin": "I m a 2", "crystal_class": "orthorhombic", "ncsym": ["x,y,z", "-x,-y,z", "-x+1/2,y,z", "x+1/2,-y,z"]}, {"symops": ["x,y,z", "-x,-y,z", "-x,y+1/2,z", "x,-y+1/2,z", "x+1/2,y+1/2,z+1/2", "-x+1/2,-y+1/2,z+1/2", "-x+1/2,y+1,z+1/2", "x+1/2,-y+1,z+1/2"], "universal_h_m": "I b m 2", "number": 46, "schoenflies": "C2v^22", "hall": " I 2 -2b", "hermann_mauguin": "I b m 2", "crystal_class": "orthorhombic", "ncsym": ["x,y,z", "-x,-y,z", "-x,y+1/2,z", "x,-y+1/2,z"]}, {"symops": ["x,y,z", "x,y+1/2,-z", "x,-y,-z", "x,-y+1/2,z", "x+1/2,y+1/2,z+1/2", "x+1/2,y+1,-z+1/2", "x+1/2,-y+1/2,-z+1/2", "x+1/2,-y+1,z+1/2"], "universal_h_m": "I 2 m b", "number": 46, "schoenflies": "C2v^22", "hall": " I -2b 2", "hermann_mauguin": "I 2 m b", "crystal_class": "orthorhombic", "ncsym": ["x,y,z", "x,y+1/2,-z", "x,-y,-z", "x,-y+1/2,z"]}, {"symops": ["x,y,z", "x,y,-z+1/2", "x,-y,-z", "x,-y,z+1/2", "x+1/2,y+1/2,z+1/2", "x+1/2,y+1/2,-z+1", "x+1/2,-y+1/2,-z+1/2", "x+1/2,-y+1/2,z+1"], "universal_h_m": "I 2 c m", "number": 46, "schoenflies": "C2v^22", "hall": " I -2c 2", "hermann_mauguin": "I 2 c m", "crystal_class": "orthorhombic", "ncsym": ["x,y,z", "x,y,-z+1/2", "x,-y,-z", "x,-y,z+1/2"]}, {"symops": ["x,y,z", "x,y,-z+1/2", "-x,y,z+1/2", "-x,y,-z", "x+1/2,y+1/2,z+1/2", "x+1/2,y+1/2,-z+1", "-x+1/2,y+1/2,z+1", "-x+1/2,y+1/2,-z+1/2"], "universal_h_m": "I c 2 m", "number": 46, "schoenflies": "C2v^22", "hall": " I -2c -2c", "hermann_mauguin": "I c 2 m", "crystal_class": "orthorhombic", "ncsym": ["x,y,z", "x,y,-z+1/2", "-x,y,z+1/2", "-x,y,-z"]}, {"symops": ["x,y,z", "x+1/2,y,-z", "-x+1/2,y,z", "-x,y,-z", "x+1/2,y+1/2,z+1/2", "x+1,y+1/2,-z+1/2", "-x+1,y+1/2,z+1/2", "-x+1/2,y+1/2,-z+1/2"], "universal_h_m": "I m 2 a", "number": 46, "schoenflies": "C2v^22", "hall": " I -2a -2a", "hermann_mauguin": "I m 2 a", "crystal_class": "orthorhombic", "ncsym": ["x,y,z", "x+1/2,y,-z", "-x+1/2,y,z", "-x,y,-z"]}, {"symops": ["x,y,z", "-x,-y,z", "x,-y,-z", "-x,y,-z", "-x,-y,-z", "x,y,-z", "-x,y,z", "x,-y,z"], "universal_h_m": "P m m m", "number": 47, "schoenflies": "D2h^1", "hall": "-P 2 2", "hermann_mauguin": "P m m m", "crystal_class": "orthorhombic", "ncsym": ["x,y,z", "-x,-y,z", "x,-y,-z", "-x,y,-z", "-x,-y,-z", "x,y,-z", "-x,y,z", "x,-y,z"]}, {"symops": ["x,y,z", "-x,-y,z", "x,-y,-z", "-x,y,-z", "-x+1/2,-y+1/2,-z+1/2", "x+1/2,y+1/2,-z+1/2", "-x+1/2,y+1/2,z+1/2", "x+1/2,-y+1/2,z+1/2"], "universal_h_m": "P n n n :1", "number": 48, "schoenflies": "D2h^2", "hall": " P 2 2 -1n", "hermann_mauguin": "P n n n", "crystal_class": "orthorhombic", "ncsym": ["x,y,z", "-x,-y,z", "x,-y,-z", "-x,y,-z", "-x+1/2,-y+1/2,-z+1/2", "x+1/2,y+1/2,-z+1/2", "-x+1/2,y+1/2,z+1/2", "x+1/2,-y+1/2,z+1/2"]}, {"symops": ["x,y,z", "-x+1/2,-y+1/2,z", "x,-y+1/2,-z+1/2", "-x+1/2,y,-z+1/2", "-x,-y,-z", "x-1/2,y-1/2,-z", "-x,y-1/2,z-1/2", "x-1/2,-y,z-1/2"], "universal_h_m": "P n n n :2", "number": 48, "schoenflies": "D2h^2", "hall": "-P 2ab 2bc", "hermann_mauguin": "P n n n", "crystal_class": "orthorhombic", "ncsym": ["x,y,z", "-x+1/2,-y+1/2,z", "x,-y+1/2,-z+1/2", "-x+1/2,y,-z+1/2", "-x,-y,-z", "x-1/2,y-1/2,-z", "-x,y-1/2,z-1/2", "x-1/2,-y,z-1/2"]}, {"symops": ["x,y,z", "-x,-y,z", "x,-y,-z+1/2", "-x,y,-z+1/2", "-x,-y,-z", "x,y,-z", "-x,y,z-1/2", "x,-y,z-1/2"], "universal_h_m": "P c c m", "number": 49, "schoenflies": "D2h^3", "hall": "-P 2 2c", "hermann_mauguin": "P c c m", "crystal_class": 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"y+1/2,x,z+3/4"]}, {"symops": ["x,y,z", "-y,x,z", "-x,-y,z", "y,-x,z", "x,-y,-z", "y,x,-z", "-x,y,-z", "-y,-x,-z", "-x,-y,-z", "y,-x,-z", "x,y,-z", "-y,x,-z", "-x,y,z", "-y,-x,z", "x,-y,z", "y,x,z"], "universal_h_m": "P 4/m m m", "number": 123, "schoenflies": "D4h^1", "hall": "-P 4 2", "hermann_mauguin": "P 4/m m m", "crystal_class": "tetragonal", "ncsym": ["x,y,z", "-y,x,z", "-x,-y,z", "y,-x,z", "x,-y,-z", "y,x,-z", "-x,y,-z", "-y,-x,-z", "-x,-y,-z", "y,-x,-z", "x,y,-z", "-y,x,-z", "-x,y,z", "-y,-x,z", "x,-y,z", "y,x,z"]}, {"symops": ["x,y,z", "-y,x,z", "-x,-y,z", "y,-x,z", "x,-y,-z+1/2", "y,x,-z+1/2", "-x,y,-z+1/2", "-y,-x,-z+1/2", "-x,-y,-z", "y,-x,-z", "x,y,-z", "-y,x,-z", "-x,y,z-1/2", "-y,-x,z-1/2", "x,-y,z-1/2", "y,x,z-1/2"], "universal_h_m": "P 4/m c c", "number": 124, "schoenflies": "D4h^2", "hall": "-P 4 2c", "hermann_mauguin": "P 4/m c c", "crystal_class": "tetragonal", "ncsym": ["x,y,z", "-y,x,z", "-x,-y,z", "y,-x,z", "x,-y,-z+1/2", "y,x,-z+1/2", "-x,y,-z+1/2", 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"x+1/4,z+1/4,y+1/4", "-y+1/2,-z+1/2,-x+1/2", "-y,z,x+1/2", "-z-1/4,-y+1/4,x+1/4", "y+1/2,-z,x", "z+1/4,y+1/4,x+1/4", "y,z+1/2,-x", "-z-1/4,y-1/4,-x+1/4", "z-1/4,-y+1/4,-x-1/4"], "universal_h_m": "I a -3 d", "number": 230, "schoenflies": "Oh^10", "hall": "-I 4bd 2c 3", "hermann_mauguin": "I a -3 d", "crystal_class": "cubic", "ncsym": ["x,y,z", "-y+1/4,x+3/4,z+1/4", "-x+1/2,-y,z+1/2", "y+1/4,-x+1/4,z+3/4", "x,-y,-z+1/2", "y+1/4,x+3/4,-z+3/4", "-x+1/2,y,-z", "-y+1/4,-x+1/4,-z+1/4", "z,x,y", "-x+1/4,z+3/4,y+1/4", "-z+1/2,-x,y+1/2", "x+1/4,-z+1/4,y+3/4", "z,-x,-y+1/2", "x+1/4,z+3/4,-y+3/4", "-z+1/2,x,-y", "-x+1/4,-z+1/4,-y+1/4", "y,z,x", "y+1/2,-z+1/2,-x", "z+3/4,y+1/4,-x+1/4", "-y,z+1/2,-x+1/2", "-z+1/4,-y+1/4,-x+1/4", "-y+1/2,-z,x+1/2", "z+3/4,-y+3/4,x+1/4", "-z+3/4,y+1/4,x+3/4", "-x,-y,-z", "y-1/4,-x-3/4,-z-1/4", "x-1/2,y,-z-1/2", "-y-1/4,x-1/4,-z-3/4", "-x,y,z-1/2", "-y-1/4,-x-3/4,z-3/4", "x-1/2,-y,z", "y-1/4,x-1/4,z-1/4", "-z,-x,-y", "x-1/4,-z-3/4,-y-1/4", "z-1/2,x,-y-1/2", "-x-1/4,z-1/4,-y-3/4", "-z,x,y-1/2", "-x-1/4,-z-3/4,y-3/4", "z-1/2,-x,y", "x-1/4,z-1/4,y-1/4", "-y,-z,-x", "-y-1/2,z-1/2,x", "-z-3/4,-y-1/4,x-1/4", "y,-z-1/2,x-1/2", "z-1/4,y-1/4,x-1/4", "y-1/2,z,-x-1/2", "-z-3/4,y-3/4,-x-1/4", "z-3/4,-y-1/4,-x-3/4"]}, {"symops": ["x,y,z", "1/2+x,1/2+y,z"], "universal_h_m": "C 1", "number": 1, "schoenflies": "C1^1", "hall": "P 1 (1/2*x+1/2*y,1/2*x-1/2*y,-z)", "hermann_mauguin": "C 1", "crystal_class": "triclinic", "ncsym": ["x, y, z"]}, {"symops": ["x,y,z", "-x,-y,-z", "x,1/2+y,1/2+z", "-x,1/2-y,1/2-z"], "universal_h_m": "A -1", "number": 2, "schoenflies": "Ci^1", "hall": "-P 1 (-x,-1/2*y+1/2*z,1/2*y+1/2*z)", "hermann_mauguin": "A -1", "crystal_class": "triclinic", "ncsym": ["x, y, z", "-x, -y, -z"]}, {"symops": ["x, y, z", "x+1/2, y, z+1/2", "-x, -y, -z", "-x+1/2, -y, -z+1/2"], "universal_h_m": "B -1", "number": 2, "schoenflies": "Ci^1", "hall": "-P 1 (-1/2*x+1/2*z,-y,1/2*x+1/2*z)", "hermann_mauguin": "B -1", "crystal_class": "triclinic", "ncsym": ["x, y, z", "-x, -y, -z"]}, {"symops": ["x,y,z", "1/2-x,1/2-y,1/2-z", "1/2+x,1/2+y,1/2+z", "-x,-y,-z"], "universal_h_m": "I -1", "number": 2, "schoenflies": "D2^4", "hall": "-P 1 (-1/2*x+1/2*y+1/2*z,1/2*x-1/2*y+1/2*z,1/2*x+1/2*y-1/2*z)", "hermann_mauguin": "I -1", "crystal_class": "triclinic", "ncsym": ["x,y,z", "-x,-y,-z"]}, {"symops": ["x, y, z", "y, x, -z+1/2", "x+2/3, y+1/3, z+1/3", "y+2/3, x+1/3, -z+5/6", "x+1/3, y+2/3, z+2/3", "y+1/3, x+2/3, -z+7/6", "-x, -y, -z", "-y, -x, z-1/2", "-x+2/3, -y+1/3, -z+1/3", "-y+2/3, -x+1/3, z-1/6", "-x+1/3, -y+2/3, -z+2/3", "-y+1/3, -x+2/3, z+1/6"], "universal_h_m": "R 1 2/c 1", "number": 15, "schoenflies": "C2h^6", "hall": "-C 2yc (x+y-16/3*z,-x+y+16/3*z,1/3*z)", "hermann_mauguin": "R 1 2/c 1 (\"rhombohedral\" setting)", "crystal_class": "rhombohedral", "ncsym": ["x, y, z", "y, x, -z+1/2", "-x, -y, -z", "-y, -x, z-1/2"]}, {"symops": ["x,y,z", "x+1/2,-y+1/2,-z+1/2", "-x,y+1/2,-z", "-x+1/2,-y,z+1/2"], "universal_h_m": "P 21 21 21 (origin shift x,y,z+1/4)", "number": 19, "schoenflies": "D2^4", "hall": " P 2ac 2ab (x,y,z+1/4)", "hermann_mauguin": "P 21 21 21 (origin shift x,y,z+1/4)", "crystal_class": "orthorhombic", "ncsym": ["x,y,z", "x+1/2,-y+1/2,-z+1/2", "-x,y+1/2,-z", "-x+1/2,-y,z+1/2"]}, {"symops": ["x, y, z", "-x, y+1/2, -z", "x+1/2, y, z+1/2", "-x+1/2, y+1/2, -z+1/2"], "universal_h_m": "B 1 21 1", "number": 4, "schoenflies": "C2^2", "hall": "P 2yb (1/2*x,y,-1/2*x+z)", "hermann_mauguin": "B 1 21 1", "crystal_class": "monoclinic", "ncsym": ["x, y, z", "-x, y+1/2, -z"]}, {"symops": ["x, y, z", "x+1/2, y+1/2, z", "-x, -y, -z", "-x+1/2, -y+1/2, -z"], "universal_h_m": "C -1", "number": 2, "schoenflies": "Ci^1", "hall": "-P 1 (1/2*x+1/2*y,1/2*x-1/2*y,-z)", "hermann_mauguin": "C -1", "crystal_class": "triclinic", "ncsym": ["x, y, z", "-x, -y, -z"]}, {"symops": ["x,y,z", "-x,y+1/2,-z", "-x,-y,-z", "x,-y-1/2,z", "x+1/2,y,z+1/2", "-x+1/2,y+1/2,-z+1/2", "-x+1/2,-y,-z+1/2", "x+1/2,-y-1/2,z+1/2"], "universal_h_m": "B 1 21/m 1", "number": 11, "schoenflies": "C2h^2", "hall": "-P 2yb (1/2*x,y,-1/2*x+z)", "hermann_mauguin": "B 1 21/m 1", "crystal_class": "monoclinic", "ncsym": ["x,y,z", "-x,y+1/2,-z", "-x,-y,-z", "x,-y-1/2,z", "x+1/2,y,z+1/2", "-x+1/2,y+1/2,-z+1/2", "-x+1/2,-y,-z+1/2", "x+1/2,-y-1/2,z+1/2"]}, {"symops": ["x,y,z", "x,y+1/2,z+1/2"], "universal_h_m": "P 1 (-a,-b+c,b+c)", "number": 1, "schoenflies": "C1^1", "hall": " P 1 (-x,-1/2*y+1/2*z,1/2*y+1/2*z)", "hermann_mauguin": "P 1 (-a,-b+c,b+c)", "crystal_class": "triclinic", "ncsym": ["x,y,z"]}, {"symops": ["x,y,z", "x+1/2,y,z+1/2"], "universal_h_m": "P 1 (-a+c,-b,a+c)", "number": 1, "schoenflies": "C1^1", "hall": " P 1 (-1/2*x+1/2*z,-y,1/2*x+1/2*z)", "hermann_mauguin": "P 1 (-a+c,-b,a+c)", "crystal_class": "triclinic", "ncsym": ["x,y,z"]}, {"symops": ["x,y,z", "x+1/2,y+1/2,z+1/2"], "universal_h_m": "P 1 (b+c,a+c,a+b)", "number": 1, "schoenflies": "C1^1", "hall": " P 1 (-1/2*x+1/2*y+1/2*z,1/2*x-1/2*y+1/2*z,1/2*x+1/2*y-1/2*z)", "hermann_mauguin": "P 1 (b+c,a+c,a+b)", "crystal_class": "triclinic", "ncsym": ["x,y,z"]}, {"symops": ["x,y,z", "x,y+1/2,z+1/2", "x+1/2,y,z+1/2", "x+1/2,y+1/2,z"], "universal_h_m": "P 1 (-a+b+c,a-b+c,a+b-c)", "number": 1, "schoenflies": "C1^1", "hall": " P 1 (1/2*y+1/2*z,1/2*x+1/2*z,1/2*x+1/2*y)", "hermann_mauguin": "P 1 (-a+b+c,a-b+c,a+b-c)", "crystal_class": "triclinic", "ncsym": ["x,y,z"]}, {"symops": ["x,y,z", "-x,-y,-z", "x,y+1/2,z+1/2", "-x,-y+1/2,-z+1/2", "x+1/2,y,z+1/2", "-x+1/2,-y,-z+1/2", "x+1/2,y+1/2,z", "-x+1/2,-y+1/2,-z"], "universal_h_m": "P -1 (-a+b+c,a-b+c,a+b-c)", "number": 2, "schoenflies": "Ci^1", "hall": "-P 1 (1/2*y+1/2*z,1/2*x+1/2*z,1/2*x+1/2*y)", "hermann_mauguin": "P -1 (-a+b+c,a-b+c,a+b-c)", "crystal_class": "triclinic", "ncsym": ["x,y,z", "-x,-y,-z"]}, {"symops": ["x,y,z", "-x,y,-z", "x+1/2,y,z+1/2", "-x+1/2,y,-z+1/2"], "universal_h_m": "P 1 2 1 (2*a+c,b,c)", "number": 3, "schoenflies": "C2^1", "hall": " P 2y (1/2*x,y,-1/2*x+z)", "hermann_mauguin": "P 1 2 1 (2*a+c,b,c)", "crystal_class": "monoclinic", "ncsym": ["x,y,z", "-x,y,-z"]}, {"symops": ["x,y,z", "-x,y,-z", "x+1/2,y,z+1/2", "-x+1/2,y,-z+1/2", "x+1/2,y+1/2,z", "-x+1/2,y+1/2,-z", "x,y+1/2,z+1/2", "-x,y+1/2,-z+1/2"], "universal_h_m": "C 1 2 1 (a,b,a+2*c)", "number": 5, "schoenflies": "C2^3", "hall": " C 2y (x-1/2*z,y,1/2*z)", "hermann_mauguin": "C 1 2 1 (a,b,a+2*c)", "crystal_class": "monoclinic", "ncsym": ["x,y,z", "-x,y,-z"]}, {"symops": ["x,y,z", "-x,-y,z", "x+1/2,y+1/2,z", "-x+1/2,-y+1/2,z"], "universal_h_m": "P 1 2 1 (c,2*a+c,b)", "number": 3, "schoenflies": "C2^1", "hall": " P 2y (-1/2*x+z,1/2*x,y)", "hermann_mauguin": "P 1 2 1 (c,2*a+c,b)", "crystal_class": "monoclinic", "ncsym": ["x,y,z", "-x,-y,z"]}, {"symops": ["x,y,z", "-x,-y,z", "x+1/2,y+1/2,z", "-x+1/2,-y+1/2,z", "x,y+1/2,z+1/2", "-x,-y+1/2,z+1/2", "x+1/2,y,z+1/2", "-x+1/2,-y,z+1/2"], "universal_h_m": "C 1 2 1 (a+2*c,a,b)", "number": 5, "schoenflies": "C2^3", "hall": " C 2y (1/2*z,x-1/2*z,y)", "hermann_mauguin": "C 1 2 1 (a+2*c,a,b)", "crystal_class": "monoclinic", "ncsym": ["x,y,z", "-x,-y,z"]}, {"symops": ["x,y,z", "-x,y,-z+1/2", "x,y+1/2,z+1/2", "-x,y+1/2,-z"], "universal_h_m": "C 1 2 1 (c-1/4,b-1/4,-a)", "number": 5, "schoenflies": "C2^3", "hall": " C 2y (z,y+1/4,-x-1/4)", "hermann_mauguin": "C 1 2 1 (c-1/4,b-1/4,-a)", "crystal_class": "monoclinic", "ncsym": ["x,y,z", "-x,y+1/2,-z"]}, {"symops": ["x,y,z", "-x+1/2,y,-z", "x+1/2,y+1/2,z", "-x,y+1/2,-z"], "universal_h_m": "C 1 2 1 (a-1/4,b-1/4,c)", "number": 5, "schoenflies": "C2^3", "hall": " C 2y (x+1/4,y+1/4,z)", "hermann_mauguin": "C 1 2 1 (a-1/4,b-1/4,c)", "crystal_class": "monoclinic", "ncsym": ["x,y,z", "-x,y+1/2,-z"]}, {"symops": ["x,y,z", "-x+1/2,y,-z+1/2", "x+1/2,y+1/2,z+1/2", "-x,y+1/2,-z"], "universal_h_m": "C 1 2 1 (a+c-1/4,b-1/4,c)", "number": 5, "schoenflies": "C2^3", "hall": " C 2y (x+1/4,y+1/4,-x+z-1/4)", "hermann_mauguin": "C 1 2 1 (a+c-1/4,b-1/4,c)", "crystal_class": "monoclinic", "ncsym": ["x,y,z", "-x,y+1/2,-z"]}, {"symops": ["x,y,z", "-x+1/2,y,-z", "x+1/2,y,z+1/2", "-x,y,-z+1/2", "x+1/2,y+1/2,z", "-x,y+1/2,-z", "x,y+1/2,z+1/2", "-x+1/2,y+1/2,-z+1/2"], "universal_h_m": "C 1 2 1 (a-1/4,b-1/4,a+2*c)", "number": 5, "schoenflies": "C2^3", "hall": " C 2y (x-1/2*z+1/4,y+1/4,1/2*z)", "hermann_mauguin": "C 1 2 1 (a-1/4,b-1/4,a+2*c)", "crystal_class": "monoclinic", "ncsym": ["x,y,z", "-x,y+1/2,-z"]}, {"symops": ["x,y,z", "-x,-y+1/2,z", "x,y+1/2,z+1/2", "-x,-y,z+1/2"], "universal_h_m": "C 1 2 1 (c-1/4,a-1/4,b)", "number": 5, "schoenflies": "C2^3", "hall": " C 2y (z,x+1/4,y+1/4)", "hermann_mauguin": "C 1 2 1 (c-1/4,a-1/4,b)", "crystal_class": "monoclinic", "ncsym": ["x,y,z", "-x,-y,z+1/2"]}, {"symops": ["x,y,z", "-x+1/2,-y,z", "x+1/2,y,z+1/2", "-x,-y,z+1/2"], "universal_h_m": "C 1 2 1 (-a-1/4,c-1/4,b)", "number": 5, "schoenflies": "C2^3", "hall": " C 2y (-x-1/4,z,y+1/4)", "hermann_mauguin": "C 1 2 1 (-a-1/4,c-1/4,b)", "crystal_class": "monoclinic", "ncsym": ["x,y,z", "-x,-y,z+1/2"]}, {"symops": ["x,y,z", "-x,-y,z+1/2", "x+1/2,y+1/2,z", "-x+1/2,-y+1/2,z+1/2"], "universal_h_m": "P 1 21 1 (c,2*a+c,b)", "number": 4, "schoenflies": "C2^2", "hall": " P 2yb (-1/2*x+z,1/2*x,y)", "hermann_mauguin": "P 1 21 1 (c,2*a+c,b)", "crystal_class": "monoclinic", "ncsym": ["x,y,z", "-x,-y,z+1/2"]}, {"symops": ["x,y,z", "-x+1/2,-y+1/2,z", "x+1/2,y+1/2,z+1/2", "-x,-y,z+1/2"], "universal_h_m": "C 1 2 1 (c-1/4,a+c-1/4,b)", "number": 5, "schoenflies": "C2^3", "hall": " C 2y (-x+z-1/4,x+1/4,y+1/4)", "hermann_mauguin": "C 1 2 1 (c-1/4,a+c-1/4,b)", "crystal_class": "monoclinic", "ncsym": ["x,y,z", "-x,-y,z+1/2"]}, {"symops": ["x,y,z", "-x,-y+1/2,z", "x+1/2,y+1/2,z", "-x+1/2,-y,z", "x,y+1/2,z+1/2", "-x,-y,z+1/2", "x+1/2,y,z+1/2", "-x+1/2,-y+1/2,z+1/2"], "universal_h_m": "C 1 2 1 (a+2*c-1/4,a-1/4,b)", "number": 5, "schoenflies": "C2^3", "hall": " C 2y (1/2*z,x-1/2*z+1/4,y+1/4)", "hermann_mauguin": "C 1 2 1 (a+2*c-1/4,a-1/4,b)", "crystal_class": "monoclinic", "ncsym": ["x,y,z", "-x,-y,z+1/2"]}, {"symops": ["x,y,z", "x,-y,z", "x+1/2,y,z+1/2", "x+1/2,-y,z+1/2"], "universal_h_m": "P 1 m 1 (2*a+c,b,c)", "number": 6, "schoenflies": "Cs^1", "hall": " P -2y (1/2*x,y,-1/2*x+z)", "hermann_mauguin": "P 1 m 1 (2*a+c,b,c)", "crystal_class": "monoclinic", "ncsym": ["x,y,z", "x,-y,z"]}, {"symops": ["x,y,z", "x,-y,z", "x+1/2,y,z+1/2", "x+1/2,-y,z+1/2", "x+1/2,y+1/2,z", "x+1/2,-y+1/2,z", "x,y+1/2,z+1/2", "x,-y+1/2,z+1/2"], "universal_h_m": "C 1 m 1 (a,b,a+2*c)", "number": 8, "schoenflies": "Cs^3", "hall": " C -2y (x-1/2*z,y,1/2*z)", "hermann_mauguin": "C 1 m 1 (a,b,a+2*c)", "crystal_class": "monoclinic", "ncsym": ["x,y,z", "x,-y,z"]}, {"symops": ["x,y,z", "x,y,-z", "x+1/2,y+1/2,z", "x+1/2,y+1/2,-z"], "universal_h_m": "P 1 m 1 (c,2*a+c,b)", "number": 6, "schoenflies": "Cs^1", "hall": " P -2y (-1/2*x+z,1/2*x,y)", "hermann_mauguin": "P 1 m 1 (c,2*a+c,b)", "crystal_class": "monoclinic", "ncsym": ["x,y,z", "x,y,-z"]}, {"symops": ["x,y,z", "x,y,-z", "x+1/2,y+1/2,z", "x+1/2,y+1/2,-z", "x,y+1/2,z+1/2", "x,y+1/2,-z+1/2", "x+1/2,y,z+1/2", "x+1/2,y,-z+1/2"], "universal_h_m": "C 1 m 1 (a+2*c,a,b)", "number": 8, "schoenflies": "Cs^3", "hall": " C -2y (1/2*z,x-1/2*z,y)", "hermann_mauguin": "C 1 m 1 (a+2*c,a,b)", "crystal_class": "monoclinic", "ncsym": ["x,y,z", "x,y,-z"]}, {"symops": ["x,y,z", "-x,y,z", "x,y+1/2,z+1/2", "-x,y+1/2,z+1/2"], "universal_h_m": "P 1 m 1 (b,c,2*a+c)", "number": 6, "schoenflies": "Cs^1", "hall": " P -2y (y,-1/2*x+z,1/2*x)", "hermann_mauguin": "P 1 m 1 (b,c,2*a+c)", "crystal_class": "monoclinic", "ncsym": ["x,y,z", "-x,y,z"]}, {"symops": ["x,y,z", "-x,y,z", "x,y+1/2,z+1/2", "-x,y+1/2,z+1/2", "x+1/2,y,z+1/2", "-x+1/2,y,z+1/2", "x+1/2,y+1/2,z", "-x+1/2,y+1/2,z"], "universal_h_m": "C 1 m 1 (b,a+2*c,a)", "number": 8, "schoenflies": "Cs^3", "hall": " C -2y (y,1/2*z,x-1/2*z)", "hermann_mauguin": "C 1 m 1 (b,a+2*c,a)", "crystal_class": "monoclinic", "ncsym": ["x,y,z", "-x,y,z"]}, {"symops": ["x,y,z", "x,-y+1/2,z", "x,y+1/2,z+1/2", "x,-y,z+1/2"], "universal_h_m": "C 1 m 1 (c-1/4,b-1/4,-a)", "number": 8, "schoenflies": "Cs^3", "hall": " C -2y (z,y+1/4,-x-1/4)", "hermann_mauguin": "C 1 m 1 (c-1/4,b-1/4,-a)", "crystal_class": "monoclinic", "ncsym": ["x,y,z", "x,-y,z+1/2"]}, {"symops": ["x,y,z", "x,-y,z+1/2", "x+1/2,y,z+1/2", "x+1/2,-y,z"], "universal_h_m": "P 1 c 1 (2*a+c,b,c)", "number": 7, "schoenflies": "Cs^2", "hall": " P -2yc (1/2*x,y,-1/2*x+z)", "hermann_mauguin": "P 1 c 1 (2*a+c,b,c)", "crystal_class": "monoclinic", "ncsym": ["x,y,z", "x,-y,z+1/2"]}, {"symops": ["x,y,z", "x,-y+1/2,z", "x+1/2,y,z+1/2", "x+1/2,-y+1/2,z+1/2", "x+1/2,y+1/2,z", "x+1/2,-y,z", "x,y+1/2,z+1/2", "x,-y,z+1/2"], "universal_h_m": "C 1 m 1 (a-1/4,b-1/4,a+2*c)", "number": 8, "schoenflies": "Cs^3", "hall": " C -2y (x-1/2*z+1/4,y+1/4,1/2*z)", "hermann_mauguin": "C 1 m 1 (a-1/4,b-1/4,a+2*c)", "crystal_class": "monoclinic", "ncsym": ["x,y,z", "x,-y,z+1/2"]}, {"symops": ["x,y,z", "x,-y+1/2,z", "x+1/2,y+1/2,z+1/2", "x+1/2,-y,z+1/2"], "universal_h_m": "C 1 m 1 (a+c-1/4,b-1/4,c)", "number": 8, "schoenflies": "Cs^3", "hall": " C -2y (x+1/4,y+1/4,-x+z-1/4)", "hermann_mauguin": "C 1 m 1 (a+c-1/4,b-1/4,c)", "crystal_class": "monoclinic", "ncsym": ["x,y,z", "x+1/2,-y,z+1/2"]}, {"symops": ["x,y,z", "x,-y+1/2,z", "x+1/2,y+1/2,z", "x+1/2,-y,z"], "universal_h_m": "C 1 m 1 (a-1/4,b-1/4,c)", "number": 8, "schoenflies": "Cs^3", "hall": " C -2y (x+1/4,y+1/4,z)", "hermann_mauguin": "C 1 m 1 (a-1/4,b-1/4,c)", "crystal_class": "monoclinic", "ncsym": ["x,y,z", "x+1/2,-y,z"]}, {"symops": ["x,y,z", "x,y,-z+1/2", "x+1/2,y,z+1/2", "x+1/2,y,-z"], "universal_h_m": "C 1 m 1 (-a-1/4,c-1/4,b)", "number": 8, "schoenflies": "Cs^3", "hall": " C -2y (-x-1/4,z,y+1/4)", "hermann_mauguin": "C 1 m 1 (-a-1/4,c-1/4,b)", "crystal_class": "monoclinic", "ncsym": ["x,y,z", "x+1/2,y,-z"]}, {"symops": ["x,y,z", "x+1/2,y,-z", "x+1/2,y+1/2,z", "x,y+1/2,-z"], "universal_h_m": "P 1 c 1 (c,2*a+c,b)", "number": 7, "schoenflies": "Cs^2", "hall": " P -2yc (-1/2*x+z,1/2*x,y)", "hermann_mauguin": "P 1 c 1 (c,2*a+c,b)", 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{"symops": ["x,y,z", "-x,y,-z+1/2", "-x,y,z", "x,y,-z+1/2", "x,y+1/2,z+1/2", "-x,y+1/2,-z", "-x,y+1/2,z+1/2", "x,y+1/2,-z"], "universal_h_m": "A m m 2 (-a,c+1/4,b-1/4)", "number": 38, "schoenflies": "C2v^14", "hall": " A 2 -2 (-x,z+1/4,y-1/4)", "hermann_mauguin": "A m m 2 (-a,c+1/4,b-1/4)", "crystal_class": "orthorhombic", "ncsym": ["x,y,z", "x,y+1/2,-z", "-x,y,z", "-x,y+1/2,-z"]}, {"symops": ["x,y,z", "-x+1/2,y,-z", "x+1/2,y,-z", "-x,y,z", "x+1/2,y+1/2,z", "-x,y+1/2,-z", "x,y+1/2,-z", "-x+1/2,y+1/2,z"], "universal_h_m": "A e m 2 (b,c+1/4,a-1/4)", "number": 39, "schoenflies": "C2v^15", "hall": " A 2 -2b (y-1/4,z+1/4,x)", "hermann_mauguin": "A e m 2 (b,c+1/4,a-1/4)", "crystal_class": "orthorhombic", "ncsym": ["x,y,z", "x,y+1/2,-z", "-x,y,z", "-x,y+1/2,-z"]}, {"symops": ["x,y,z", "-x+1/2,y,-z+1/2", "-x,y,z", "x+1/2,y,-z+1/2", "x+1/2,y+1/2,z+1/2", "-x,y+1/2,-z", "-x+1/2,y+1/2,z+1/2", "x,y+1/2,-z"], "universal_h_m": "I m a 2 (-a-1/4,c-1/4,b+1/4)", "number": 46, "schoenflies": "C2v^22", "hall": " I 2 -2a (-x-1/4,z-1/4,y+1/4)", "hermann_mauguin": "I m a 2 (-a-1/4,c-1/4,b+1/4)", "crystal_class": "orthorhombic", "ncsym": ["x,y,z", "x,y+1/2,-z", "-x,y,z", "-x,y+1/2,-z"]}, {"symops": ["x,y,z", "-x,y,-z+1/2", "x,y,-z+1/2", "-x,y,z", "x+1/2,y+1/2,z", "-x+1/2,y+1/2,-z+1/2", "x+1/2,y+1/2,-z+1/2", "-x+1/2,y+1/2,z", "x,y+1/2,z+1/2", "-x,y+1/2,-z", "x,y+1/2,-z", "-x,y+1/2,z+1/2", "x+1/2,y,z+1/2", "-x+1/2,y,-z", "x+1/2,y,-z", "-x+1/2,y,z+1/2"], "universal_h_m": "F m m 2 (b+1/4,c,a+1/4)", "number": 42, "schoenflies": "C2v^18", "hall": " F 2 -2 (y,z-1/4,x-1/4)", "hermann_mauguin": "F m m 2 (b+1/4,c,a+1/4)", "crystal_class": "orthorhombic", "ncsym": ["x,y,z", "x,y+1/2,-z", "-x,y,z", "-x,y+1/2,-z"]}, {"symops": ["x,y,z", "-x+1/2,-y+1/2,z", "-x+1/2,y,z", "x,-y+1/2,z", "x,y+1/2,z+1/2", "-x+1/2,-y,z+1/2", "-x+1/2,y+1/2,z+1/2", "x,-y,z+1/2", "x+1/2,y,z+1/2", "-x,-y+1/2,z+1/2", "-x,y,z+1/2", "x+1/2,-y+1/2,z+1/2", "x+1/2,y+1/2,z", "-x,-y,z", "-x,y+1/2,z", "x+1/2,-y,z"], "universal_h_m": "F m m 2 (a+1/4,b+1/4,c+1/2)", "number": 42, "schoenflies": "C2v^18", "hall": " F 2 -2 (x-1/4,y-1/4,z+1/2)", "hermann_mauguin": "F m m 2 (a+1/4,b+1/4,c+1/2)", "crystal_class": "orthorhombic", "ncsym": ["x,y,z", "-x,-y,z", "-x,y,z+1/2", "x,-y,z+1/2"]}, {"symops": ["x,y,z", "-x+1/2,y,-z+1/2", "x,y,-z+1/2", "-x+1/2,y,z", "x+1/2,y+1/2,z", "-x,y+1/2,-z+1/2", "x+1/2,y+1/2,-z+1/2", "-x,y+1/2,z", "x,y+1/2,z+1/2", "-x+1/2,y+1/2,-z", "x,y+1/2,-z", "-x+1/2,y+1/2,z+1/2", "x+1/2,y,z+1/2", "-x,y,-z", "x+1/2,y,-z", "-x,y,z+1/2"], "universal_h_m": "F m m 2 (b+1/4,c+1/4,a+1/2)", "number": 42, "schoenflies": "C2v^18", "hall": " F 2 -2 (y-1/4,z+1/2,x-1/4)", "hermann_mauguin": "F m m 2 (b+1/4,c+1/4,a+1/2)", "crystal_class": "orthorhombic", "ncsym": ["x,y,z", "x,y+1/2,-z", "-x,y+1/2,z", "-x,y,-z"]}, {"symops": ["x,y,z", "-x+1/2,-y+1/2,z", "-x+1/2,y,z", "x,-y+1/2,z", "x+1/2,y+1/2,z", "-x,-y,z", "-x,y+1/2,z", "x+1/2,-y,z"], "universal_h_m": "C m m 2 (a-1/4,b-1/4,c)", "number": 35, "schoenflies": "C2v^11", "hall": " C 2 -2 (x+1/4,y+1/4,z)", "hermann_mauguin": "C m m 2 (a-1/4,b-1/4,c)", "crystal_class": "orthorhombic", "ncsym": ["x,y,z", "-x,-y,z", "-x+1/2,y,z", "x+1/2,-y,z"]}, {"symops": ["x,y,z", "-x+1/2,y,-z+1/2", "x,y,-z+1/2", "-x+1/2,y,z", "x+1/2,y,z+1/2", "-x,y,-z", "x+1/2,y,-z", "-x,y,z+1/2"], "universal_h_m": "C m m 2 (b-1/4,c-1/4,a)", "number": 35, "schoenflies": "C2v^11", "hall": " C 2 -2 (y+1/4,z,x+1/4)", "hermann_mauguin": "C m m 2 (b-1/4,c-1/4,a)", "crystal_class": "orthorhombic", "ncsym": ["x,y,z", "x,y,-z+1/2", "-x,y,z+1/2", "-x,y,-z"]}, {"symops": ["x,y,z", "-x,-y+1/2,z", "-x+1/2,y+1/2,z", "x+1/2,-y,z", "x,y+1/2,z+1/2", "-x,-y,z+1/2", "-x+1/2,y,z+1/2", "x+1/2,-y+1/2,z+1/2"], "universal_h_m": "A e a 2 (a,b+1/4,c-1/4)", "number": 41, "schoenflies": "C2v^17", "hall": " A 2 -2ab (x,y-1/4,z+1/4)", "hermann_mauguin": "A e a 2 (a,b+1/4,c-1/4)", "crystal_class": "orthorhombic", "ncsym": ["x,y,z", "-x,-y,z+1/2", "-x+1/2,y,z+1/2", "x+1/2,-y,z"]}, {"symops": ["x,y,z", "-x+1/2,-y+1/2,z+1/2", "x,-y+1/2,z", "-x+1/2,y,z+1/2", "x+1/2,y+1/2,z", "-x,-y,z+1/2", "x+1/2,-y,z", "-x,y+1/2,z+1/2"], "universal_h_m": "C m c 21 (b-1/4,-a-1/4,c)", "number": 36, "schoenflies": "C2v^12", "hall": " C 2c -2 (y+1/4,-x-1/4,z)", "hermann_mauguin": "C m c 21 (b-1/4,-a-1/4,c)", "crystal_class": "orthorhombic", "ncsym": ["x,y,z", "-x,-y,z+1/2", "-x+1/2,y,z+1/2", "x+1/2,-y,z"]}, {"symops": ["x,y,z", "-x+1/2,-y+1/2,z", "-x+1/2,y,z+1/2", "x,-y+1/2,z+1/2", "x+1/2,y+1/2,z+1/2", "-x,-y,z+1/2", "-x,y+1/2,z", "x+1/2,-y,z"], "universal_h_m": "I b a 2 (a-1/4,b-1/4,c+1/4)", "number": 45, "schoenflies": "C2v^21", "hall": " I 2 -2c (x+1/4,y+1/4,z-1/4)", "hermann_mauguin": "I b a 2 (a-1/4,b-1/4,c+1/4)", "crystal_class": "orthorhombic", "ncsym": ["x,y,z", "-x,-y,z+1/2", "-x+1/2,y,z+1/2", "x+1/2,-y,z"]}, {"symops": ["x,y,z", "-x+1/2,-y,z", "x+1/2,-y+1/2,z", "-x,y+1/2,z", "x+1/2,y,z+1/2", "-x,-y,z+1/2", "x,-y+1/2,z+1/2", "-x+1/2,y+1/2,z+1/2"], "universal_h_m": "A e a 2 (b,-a+1/4,c-1/4)", "number": 41, "schoenflies": "C2v^17", "hall": " A 2 -2ab (y-1/4,-x,z+1/4)", "hermann_mauguin": "A e a 2 (b,-a+1/4,c-1/4)", "crystal_class": "orthorhombic", "ncsym": ["x,y,z", "-x,-y,z+1/2", "-x,y+1/2,z", "x,-y+1/2,z+1/2"]}, {"symops": ["x,y,z", "-x+1/2,-y+1/2,z+1/2", "-x+1/2,y,z", "x,-y+1/2,z+1/2", "x+1/2,y+1/2,z", "-x,-y,z+1/2", "-x,y+1/2,z", "x+1/2,-y,z+1/2"], "universal_h_m": "C m c 21 (a-1/4,b-1/4,c)", "number": 36, "schoenflies": "C2v^12", "hall": " C 2c -2 (x+1/4,y+1/4,z)", "hermann_mauguin": "C m c 21 (a-1/4,b-1/4,c)", "crystal_class": "orthorhombic", "ncsym": ["x,y,z", "-x,-y,z+1/2", "-x,y+1/2,z", "x,-y+1/2,z+1/2"]}, {"symops": ["x,y,z", "-x+1/2,y+1/2,-z+1/2", "-x+1/2,y,z", "x,y+1/2,-z+1/2", "x+1/2,y,z+1/2", "-x,y+1/2,-z", "-x,y,z+1/2", "x+1/2,y+1/2,-z"], "universal_h_m": "C m c 21 (-a-1/4,c-1/4,b)", "number": 36, "schoenflies": "C2v^12", "hall": " C 2c -2 (-x-1/4,z,y+1/4)", "hermann_mauguin": "C m c 21 (-a-1/4,c-1/4,b)", "crystal_class": "orthorhombic", "ncsym": ["x,y,z", "x,y+1/2,-z+1/2", "-x,y,z+1/2", "-x,y+1/2,-z"]}, {"symops": ["x,y,z", "-x+1/2,y,-z", "x+1/2,y,-z+1/2", "-x,y,z+1/2", "x+1/2,y+1/2,z", "-x,y+1/2,-z", "x,y+1/2,-z+1/2", "-x+1/2,y+1/2,z+1/2"], "universal_h_m": "A e a 2 (b,c+1/4,a-1/4)", "number": 41, "schoenflies": "C2v^17", "hall": " A 2 -2ab (y-1/4,z+1/4,x)", "hermann_mauguin": "A e a 2 (b,c+1/4,a-1/4)", "crystal_class": "orthorhombic", "ncsym": ["x,y,z", "x,y+1/2,-z+1/2", "-x,y,z+1/2", "-x,y+1/2,-z"]}, {"symops": ["x,y,z", "-x+1/2,y,-z+1/2", "x,y+1/2,-z+1/2", "-x+1/2,y+1/2,z", "x+1/2,y+1/2,z+1/2", "-x,y+1/2,-z", "x+1/2,y,-z", "-x,y,z+1/2"], "universal_h_m": "I b a 2 (b-1/4,c-1/4,a+1/4)", "number": 45, "schoenflies": "C2v^21", "hall": " I 2 -2c (y+1/4,z-1/4,x+1/4)", "hermann_mauguin": "I b a 2 (b-1/4,c-1/4,a+1/4)", "crystal_class": "orthorhombic", "ncsym": ["x,y,z", "x,y+1/2,-z+1/2", "-x,y,z+1/2", "-x,y+1/2,-z"]}, {"symops": ["x,y,z", "-x,y,-z+1/2", "-x+1/2,y,z+1/2", "x+1/2,y,-z", "x,y+1/2,z+1/2", "-x,y+1/2,-z", "-x+1/2,y+1/2,z", "x+1/2,y+1/2,-z+1/2"], "universal_h_m": "A e a 2 (-a,c+1/4,b-1/4)", "number": 41, "schoenflies": "C2v^17", "hall": " A 2 -2ab (-x,z+1/4,y-1/4)", "hermann_mauguin": "A e a 2 (-a,c+1/4,b-1/4)", "crystal_class": "orthorhombic", "ncsym": ["x,y,z", "x+1/2,y,-z", "-x+1/2,y+1/2,z", "-x,y+1/2,-z"]}, {"symops": ["x,y,z", "-x+1/2,y+1/2,-z+1/2", "x,y,-z+1/2", "-x+1/2,y+1/2,z", "x+1/2,y,z+1/2", "-x,y+1/2,-z", "x+1/2,y,-z", "-x,y+1/2,z+1/2"], "universal_h_m": "C m c 21 (b-1/4,c-1/4,a)", "number": 36, "schoenflies": "C2v^12", "hall": " C 2c -2 (y+1/4,z,x+1/4)", "hermann_mauguin": "C m c 21 (b-1/4,c-1/4,a)", "crystal_class": "orthorhombic", "ncsym": ["x,y,z", "x+1/2,y,-z", "-x+1/2,y+1/2,z", "-x,y+1/2,-z"]}, {"symops": ["x,y,z", "-x+1/2,-y+1/2,z", "-x+1/2,y,z+1/2", "x,-y+1/2,z+1/2", "x+1/2,y+1/2,z", "-x,-y,z", "-x,y+1/2,z+1/2", "x+1/2,-y,z+1/2"], "universal_h_m": "C c c 2 (a-1/4,b-1/4,c)", "number": 37, "schoenflies": "C2v^13", "hall": " C 2 -2c (x+1/4,y+1/4,z)", "hermann_mauguin": "C c c 2 (a-1/4,b-1/4,c)", "crystal_class": "orthorhombic", "ncsym": ["x,y,z", "-x,-y,z", "-x,y+1/2,z+1/2", "x,-y+1/2,z+1/2"]}, {"symops": ["x,y,z", "-x+1/2,y,-z+1/2", "x,y+1/2,-z+1/2", "-x+1/2,y+1/2,z", "x+1/2,y,z+1/2", "-x,y,-z", "x+1/2,y+1/2,-z", "-x,y+1/2,z+1/2"], "universal_h_m": "C c c 2 (b-1/4,c-1/4,a)", "number": 37, "schoenflies": "C2v^13", "hall": " C 2 -2c (y+1/4,z,x+1/4)", "hermann_mauguin": "C c c 2 (b-1/4,c-1/4,a)", "crystal_class": "orthorhombic", "ncsym": ["x,y,z", "x+1/2,y+1/2,-z", "-x+1/2,y+1/2,z", "-x,y,-z"]}, {"symops": ["x,y,z", "-x+1/2,-y+1/2,z", "-x,y,z", "x+1/2,-y+1/2,z", "x,y+1/2,z+1/2", "-x+1/2,-y,z+1/2", "-x,y+1/2,z+1/2", "x+1/2,-y,z+1/2"], "universal_h_m": "A m a 2 (a+1/4,b+1/4,c-1/4)", "number": 40, "schoenflies": "C2v^16", "hall": " A 2 -2a (x-1/4,y-1/4,z+1/4)", "hermann_mauguin": "A m a 2 (a+1/4,b+1/4,c-1/4)", "crystal_class": "orthorhombic", "ncsym": ["x,y,z", "-x+1/2,-y,z+1/2", "-x,y,z", "x+1/2,-y,z+1/2"]}, {"symops": ["x,y,z", "-x,-y+1/2,z+1/2", "-x,y,z", "x,-y+1/2,z+1/2", "x+1/2,y+1/2,z", "-x+1/2,-y,z+1/2", "-x+1/2,y+1/2,z", "x+1/2,-y,z+1/2"], "universal_h_m": "C m c 21 (a,b+1/4,c)", "number": 36, "schoenflies": "C2v^12", "hall": " C 2c -2 (x,y-1/4,z)", "hermann_mauguin": "C m c 21 (a,b+1/4,c)", "crystal_class": "orthorhombic", "ncsym": ["x,y,z", "-x+1/2,-y,z+1/2", "-x,y,z", "x+1/2,-y,z+1/2"]}, {"symops": ["x,y,z", "-x,-y+1/2,z", "-x,y,z", "x,-y+1/2,z", "x+1/2,y+1/2,z+1/2", "-x+1/2,-y,z+1/2", "-x+1/2,y+1/2,z+1/2", "x+1/2,-y,z+1/2"], "universal_h_m": "I m m 2 (a,b-1/4,c)", "number": 44, "schoenflies": "C2v^20", "hall": " I 2 -2 (x,y+1/4,z)", "hermann_mauguin": "I m m 2 (a,b-1/4,c)", "crystal_class": "orthorhombic", "ncsym": ["x,y,z", "-x+1/2,-y,z+1/2", "-x,y,z", "x+1/2,-y,z+1/2"]}, {"symops": ["x,y,z", "-x+1/2,-y+1/2,z", "x,-y,z", "-x+1/2,y+1/2,z", "x+1/2,y,z+1/2", "-x,-y+1/2,z+1/2", "x+1/2,-y,z+1/2", "-x,y+1/2,z+1/2"], "universal_h_m": "A m a 2 (b+1/4,-a+1/4,c-1/4)", "number": 40, "schoenflies": "C2v^16", "hall": " A 2 -2a (y-1/4,-x+1/4,z+1/4)", "hermann_mauguin": "A m a 2 (b+1/4,-a+1/4,c-1/4)", "crystal_class": "orthorhombic", "ncsym": ["x,y,z", "-x,-y+1/2,z+1/2", "-x,y+1/2,z+1/2", "x,-y,z"]}, {"symops": ["x,y,z", "-x+1/2,-y,z+1/2", "x,-y,z", "-x+1/2,y,z+1/2", "x+1/2,y+1/2,z", "-x,-y+1/2,z+1/2", "x+1/2,-y+1/2,z", "-x,y+1/2,z+1/2"], "universal_h_m": "C m c 21 (b,-a+1/4,c)", "number": 36, "schoenflies": "C2v^12", "hall": " C 2c -2 (y-1/4,-x,z)", "hermann_mauguin": "C m c 21 (b,-a+1/4,c)", "crystal_class": "orthorhombic", "ncsym": ["x,y,z", "-x,-y+1/2,z+1/2", "-x,y+1/2,z+1/2", "x,-y,z"]}, {"symops": ["x,y,z", "-x+1/2,-y,z", "-x+1/2,y,z", "x,-y,z", "x+1/2,y+1/2,z+1/2", "-x,-y+1/2,z+1/2", "-x,y+1/2,z+1/2", "x+1/2,-y+1/2,z+1/2"], "universal_h_m": "I m m 2 (a-1/4,b,c+1/4)", "number": 44, "schoenflies": "C2v^20", "hall": " I 2 -2 (x+1/4,y,z-1/4)", "hermann_mauguin": "I m m 2 (a-1/4,b,c+1/4)", "crystal_class": "orthorhombic", "ncsym": ["x,y,z", "-x,-y+1/2,z+1/2", "-x,y+1/2,z+1/2", "x,-y,z"]}, {"symops": ["x,y,z", "-x+1/2,y+1/2,-z", "x,y,-z", "-x+1/2,y+1/2,z", "x+1/2,y,z+1/2", "-x,y+1/2,-z+1/2", "x+1/2,y,-z+1/2", "-x,y+1/2,z+1/2"], "universal_h_m": "C m c 21 (b,c+1/4,a)", "number": 36, "schoenflies": "C2v^12", "hall": " C 2c -2 (y-1/4,z,x)", "hermann_mauguin": "C m c 21 (b,c+1/4,a)", "crystal_class": "orthorhombic", "ncsym": ["x,y,z", "x,y,-z", "-x,y+1/2,z+1/2", "-x,y+1/2,-z+1/2"]}, {"symops": ["x,y,z", "-x+1/2,y,-z+1/2", "x,y,-z", "-x+1/2,y,z+1/2", "x+1/2,y+1/2,z", "-x,y+1/2,-z+1/2", "x+1/2,y+1/2,-z", "-x,y+1/2,z+1/2"], "universal_h_m": "A m a 2 (b+1/4,c+1/4,a-1/4)", "number": 40, "schoenflies": "C2v^16", "hall": " A 2 -2a (y-1/4,z+1/4,x-1/4)", "hermann_mauguin": "A m a 2 (b+1/4,c+1/4,a-1/4)", "crystal_class": "orthorhombic", "ncsym": ["x,y,z", "x,y,-z", "-x,y+1/2,z+1/2", "-x,y+1/2,-z+1/2"]}, {"symops": ["x,y,z", "-x+1/2,y,-z", "x,y,-z", "-x+1/2,y,z", "x+1/2,y+1/2,z+1/2", "-x,y+1/2,-z+1/2", "x+1/2,y+1/2,-z+1/2", "-x,y+1/2,z+1/2"], "universal_h_m": "I m m 2 (b,c-1/4,a)", "number": 44, "schoenflies": "C2v^20", "hall": " I 2 -2 (y+1/4,z,x)", "hermann_mauguin": "I m m 2 (b,c-1/4,a)", "crystal_class": "orthorhombic", "ncsym": ["x,y,z", "x,y,-z", "-x,y+1/2,z+1/2", "-x,y+1/2,-z+1/2"]}, {"symops": ["x,y,z", "-x+1/2,y,-z+1/2", "-x,y,z", "x+1/2,y,-z+1/2", "x,y+1/2,z+1/2", "-x+1/2,y+1/2,-z", "-x,y+1/2,z+1/2", "x+1/2,y+1/2,-z"], "universal_h_m": "A m a 2 (-a+1/4,c+1/4,b-1/4)", "number": 40, "schoenflies": "C2v^16", "hall": " A 2 -2a (-x+1/4,z+1/4,y-1/4)", "hermann_mauguin": "A m a 2 (-a+1/4,c+1/4,b-1/4)", "crystal_class": "orthorhombic", "ncsym": ["x,y,z", "x+1/2,y+1/2,-z", "-x,y,z", "-x+1/2,y+1/2,-z"]}, {"symops": ["x,y,z", "-x,y+1/2,-z+1/2", "-x,y,z", "x,y+1/2,-z+1/2", "x+1/2,y,z+1/2", "-x+1/2,y+1/2,-z", "-x+1/2,y,z+1/2", "x+1/2,y+1/2,-z"], "universal_h_m": "C m c 21 (-a,c+1/4,b)", "number": 36, "schoenflies": "C2v^12", "hall": " C 2c -2 (-x,z,y-1/4)", "hermann_mauguin": "C m c 21 (-a,c+1/4,b)", "crystal_class": "orthorhombic", "ncsym": ["x,y,z", "x+1/2,y+1/2,-z", "-x,y,z", "-x+1/2,y+1/2,-z"]}, {"symops": ["x,y,z", "-x,y,-z+1/2", "x,y,-z+1/2", "-x,y,z", "x+1/2,y+1/2,z+1/2", "-x+1/2,y+1/2,-z", "x+1/2,y+1/2,-z", "-x+1/2,y+1/2,z+1/2"], "universal_h_m": "I m m 2 (b-1/4,c,a+1/4)", "number": 44, "schoenflies": "C2v^20", "hall": " I 2 -2 (y,z-1/4,x+1/4)", "hermann_mauguin": "I m m 2 (b-1/4,c,a+1/4)", "crystal_class": "orthorhombic", "ncsym": ["x,y,z", "x+1/2,y+1/2,-z", "-x,y,z", "-x+1/2,y+1/2,-z"]}, {"symops": ["x,y,z", "-x,-y+1/2,z", "-x+1/2,y,z", "x+1/2,-y+1/2,z", "x,y+1/2,z+1/2", "-x,-y,z+1/2", "-x+1/2,y+1/2,z+1/2", "x+1/2,-y,z+1/2"], "universal_h_m": "A m a 2 (a,b+1/4,c-1/4)", "number": 40, "schoenflies": "C2v^16", "hall": " A 2 -2a (x,y-1/4,z+1/4)", "hermann_mauguin": "A m a 2 (a,b+1/4,c-1/4)", "crystal_class": "orthorhombic", "ncsym": ["x,y,z", "-x,-y,z+1/2", "-x+1/2,y+1/2,z+1/2", "x+1/2,-y+1/2,z"]}, {"symops": ["x,y,z", "-x+1/2,-y,z", "x,-y+1/2,z", "-x+1/2,y+1/2,z", "x+1/2,y,z+1/2", "-x,-y,z+1/2", "x+1/2,-y+1/2,z+1/2", "-x,y+1/2,z+1/2"], "universal_h_m": "A m a 2 (b,-a+1/4,c-1/4)", "number": 40, "schoenflies": "C2v^16", "hall": " A 2 -2a (y-1/4,-x,z+1/4)", "hermann_mauguin": "A m a 2 (b,-a+1/4,c-1/4)", "crystal_class": "orthorhombic", "ncsym": ["x,y,z", "-x,-y,z+1/2", "-x+1/2,y+1/2,z", "x+1/2,-y+1/2,z+1/2"]}, {"symops": ["x,y,z", "-x+1/2,y,-z", "x,y,-z+1/2", "-x+1/2,y,z+1/2", "x+1/2,y+1/2,z", "-x,y+1/2,-z", "x+1/2,y+1/2,-z+1/2", "-x,y+1/2,z+1/2"], "universal_h_m": "A m a 2 (b,c+1/4,a-1/4)", "number": 40, "schoenflies": "C2v^16", "hall": " A 2 -2a (y-1/4,z+1/4,x)", "hermann_mauguin": "A m a 2 (b,c+1/4,a-1/4)", "crystal_class": "orthorhombic", "ncsym": ["x,y,z", "x+1/2,y+1/2,-z+1/2", "-x+1/2,y,z+1/2", "-x,y+1/2,-z"]}, {"symops": ["x,y,z", "-x,y,-z+1/2", "-x+1/2,y,z", "x+1/2,y,-z+1/2", "x,y+1/2,z+1/2", "-x,y+1/2,-z", "-x+1/2,y+1/2,z+1/2", "x+1/2,y+1/2,-z"], "universal_h_m": "A m a 2 (-a,c+1/4,b-1/4)", "number": 40, "schoenflies": "C2v^16", "hall": " A 2 -2a (-x,z+1/4,y-1/4)", "hermann_mauguin": "A m a 2 (-a,c+1/4,b-1/4)", "crystal_class": "orthorhombic", "ncsym": ["x,y,z", "x+1/2,y,-z+1/2", "-x+1/2,y+1/2,z+1/2", "-x,y+1/2,-z"]}, {"symops": ["x,y,z", "x,-y,-z", "-x,y,-z", "-x,-y,z", "-x+1/2,-y,-z", "-x+1/2,y,z", "x+1/2,-y,z", "x+1/2,y,-z", "x,y+1/2,z+1/2", "x,-y+1/2,-z+1/2", "-x,y+1/2,-z+1/2", "-x,-y+1/2,z+1/2", "-x+1/2,-y+1/2,-z+1/2", "-x+1/2,y+1/2,z+1/2", "x+1/2,-y+1/2,z+1/2", "x+1/2,y+1/2,-z+1/2"], "universal_h_m": "C c c m (c,a,b-1/4)", "number": 66, "schoenflies": "D2h^20", "hall": "-C 2 2c (z+1/4,x,y)", "hermann_mauguin": "C c c m (c,a,b-1/4)", "crystal_class": "orthorhombic", "ncsym": ["x,y,z", "-x,-y,z", "x,-y,-z", "-x,y,-z", "-x+1/2,-y+1/2,-z+1/2", "x+1/2,y+1/2,-z+1/2", "-x+1/2,y+1/2,z+1/2", "x+1/2,-y+1/2,z+1/2"]}, {"symops": ["x,y,z", "-x,y,-z", "-x,-y,z", "x,-y,-z", "-x,-y+1/2,-z", "x,-y+1/2,z", "x,y+1/2,-z", "-x,y+1/2,z", "x+1/2,y,z+1/2", "-x+1/2,y,-z+1/2", "-x+1/2,-y,z+1/2", "x+1/2,-y,-z+1/2", "-x+1/2,-y+1/2,-z+1/2", "x+1/2,-y+1/2,z+1/2", "x+1/2,y+1/2,-z+1/2", "-x+1/2,y+1/2,z+1/2"], "universal_h_m": "C c c m (b,c,a-1/4)", "number": 66, "schoenflies": "D2h^20", "hall": "-C 2 2c (y,z+1/4,x)", "hermann_mauguin": "C c c m (b,c,a-1/4)", "crystal_class": "orthorhombic", "ncsym": ["x,y,z", "-x,-y,z", "x,-y,-z", "-x,y,-z", "-x+1/2,-y+1/2,-z+1/2", "x+1/2,y+1/2,-z+1/2", "-x+1/2,y+1/2,z+1/2", "x+1/2,-y+1/2,z+1/2"]}, {"symops": ["x,y,z", "-x,-y,z", "x,-y,-z", "-x,y,-z", "-x,-y,-z+1/2", "x,y,-z+1/2", "-x,y,z+1/2", "x,-y,z+1/2", "x+1/2,y+1/2,z", "-x+1/2,-y+1/2,z", "x+1/2,-y+1/2,-z", "-x+1/2,y+1/2,-z", "-x+1/2,-y+1/2,-z+1/2", "x+1/2,y+1/2,-z+1/2", "-x+1/2,y+1/2,z+1/2", "x+1/2,-y+1/2,z+1/2"], "universal_h_m": "C c c m (a,b,c-1/4)", "number": 66, "schoenflies": "D2h^20", "hall": "-C 2 2c (x,y,z+1/4)", "hermann_mauguin": "C c c m (a,b,c-1/4)", "crystal_class": "orthorhombic", "ncsym": ["x,y,z", "-x,-y,z", "x,-y,-z", "-x,y,-z", "-x+1/2,-y+1/2,-z+1/2", "x+1/2,y+1/2,-z+1/2", "-x+1/2,y+1/2,z+1/2", "x+1/2,-y+1/2,z+1/2"]}, {"symops": ["x,y,z", "-x+1/2,-y+1/2,z", "x,-y+1/2,-z+1/2", "-x+1/2,y,-z+1/2", 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"-x+1/2,y+1/2,z+1/2", "-y+1/2,-x+1/2,z+1/2", "x+1/2,-y+1/2,z+1/2", "y+1/2,x+1/2,z+1/2"]}, {"symops": ["x,y,z", "x,-y,z+1/2", "x+1/2,y,z+1/2", "x+1/2,-y,z", "x+1/4,y+1/2,z+3/4", "x+1/4,-y+1/2,z+1/4", "x+3/4,y+1/2,z+1/4", "x+3/4,-y+1/2,z+3/4"], "universal_h_m": "C 1 c 1 (2*a+c,b,c)", "number": 9, "schoenflies": "Cs^4", "hall": " C -2yc (1/2*x,y,-1/2*x+z)", "hermann_mauguin": "C 1 c 1", "crystal_class": "monoclinic", "ncsym": ["x,y,z", "x,-y,z+1/2", "x+1/2,y,z+1/2", "x+1/2,-y,z"]}, {"symops": ["x,y,z", "-x,y,z", "x,-y,z+1/2", "-x,-y,z+1/2", "x+1/2,y,z", "-x+1/2,y,z", "x+1/2,-y,z+1/2", "-x+1/2,-y,z+1/2"], "universal_h_m": "P m c 21 (2*a,b,c)", "number": 26, "schoenflies": "C2v^2", "hall": " P 2c -2 (1/2*x,y,z)", "hermann_mauguin": "P m c 21", "crystal_class": "orthorhombic", "ncsym": ["x,y,z", "-x,y,z", "x,-y,z+1/2", "-x,-y,z+1/2"]}, {"symops": ["x,y,z", "x,-y,z", "x,y,-z", "x,-y,-z", "x,y+1/2,z+1/2", "x,-y+1/2,z+1/2", "x,y+1/2,-z+1/2", "x,-y+1/2,-z+1/2", "x+1/2,y,z", "x+1/2,-y,z", "x+1/2,y,-z", "x+1/2,-y,-z", "x+1/2,y+1/2,z+1/2", "x+1/2,-y+1/2,z+1/2", "x+1/2,y+1/2,-z+1/2", "x+1/2,-y+1/2,-z+1/2"], "universal_h_m": "C m m 2 (2*c,a,b)", "number": 35, "schoenflies": "C2v^11", "hall": " C 2 -2 (1/2*z,x,y)", "hermann_mauguin": "C m m 2", "crystal_class": "orthorhombic", "ncsym": ["x,y,z", "x,-y,z", "x,y,-z", "x,-y,-z"]}, {"symops": ["x,y,z", "-x+1/4,-y,z+1/2", "-x,-y,-z", "x-1/4,y,-z-1/2", "x+3/4,y+1/2,z", "-x+1,-y+1/2,z+1/2", "-x+3/4,-y+1/2,-z", "x+1/2,y+1/2,-z-1/2", "x+1/4,y+1/2,z", "-x+1/2,-y+1/2,z+1/2", "-x+1/4,-y+1/2,-z", "x,y+1/2,-z-1/2", "x+1/2,y,z", "-x+3/4,-y,z+1/2", "-x+1/2,-y,-z", "x+1/4,y,-z-1/2"], "universal_h_m": "P 1 21/c 1 (2*c,2*a+c,b)", "number": 14, "schoenflies": "C2h^5", "hall": "-P 2ybc (-1/4*x+1/2*z,1/2*x,y)", "hermann_mauguin": "P 1 21/c 1", "crystal_class": "monoclinic", "ncsym": ["x,y,z", "-x+1/4,-y,z+1/2", "-x,-y,-z", "x-1/4,y,-z-1/2"]}, {"symops": ["x,y,z", "-x,y,z", "x,y,-z+1/2", "-x,y,-z+1/2", "-x,-y,-z", "x,-y,-z", "-x,-y,z-1/2", "x,-y,z-1/2", "x+1/2,y,z", "-x+1/2,y,z", "x+1/2,y,-z+1/2", "-x+1/2,y,-z+1/2", "-x+1/2,-y,-z", "x+1/2,-y,-z", "-x+1/2,-y,z-1/2", "x+1/2,-y,z-1/2"], "universal_h_m": "P m m a (2*b,c,a)", "number": 51, "schoenflies": "D2h^5", "hall": "-P 2a 2a (1/2*y,z,x)", "hermann_mauguin": "P m m a", "crystal_class": "orthorhombic", "ncsym": ["x,y,z", "-x,y,z", "x,y,-z+1/2", "-x,y,-z+1/2", "-x,-y,-z", "x,-y,-z", "-x,-y,z-1/2", "x,-y,z-1/2"]}, {"symops": ["x,y,z", "-x,y,z", "x,y,-z", "-x,y,-z", "x+1/2,y,z", "-x+1/2,y,z", "x+1/2,y,-z", "-x+1/2,y,-z", "-x,-y+2/3,-z+1/2", "x,-y+2/3,-z+1/2", "-x,-y+2/3,z+1/2", "x,-y+2/3,z+1/2", "-x+1/2,-y+2/3,-z+1/2", "x+1/2,-y+2/3,-z+1/2", "-x+1/2,-y+2/3,z+1/2", "x+1/2,-y+2/3,z+1/2"], "universal_h_m": "P m m a (2*b+1/4,c,a-1/3)", "number": 51, "schoenflies": "D2h^5", "hall": "-P 2a 2a (1/2*y,z+1/3,x-1/4)", "hermann_mauguin": "P m m a", "crystal_class": "orthorhombic", "ncsym": ["x,y,z", "-x,y,z", "x,y,-z", "-x,y,-z", "x+1/2,y,z", "-x+1/2,y,z", "x+1/2,y,-z", "-x+1/2,y,-z"]}, {"symops": ["x,y,z", "-x,y,-z+1/2", "x,y+1/2,z", "-x,y+1/2,-z+1/2", "-x,-y,-z", "x,-y,z+1/2", "-x,-y+1/2,-z", "x,-y+1/2,z+1/2"], "universal_h_m": "P 1 2/c 1 (a,2*b,c)", "number": 13, "schoenflies": "C2h^4", "hall": "-P 2yc (x,1/2*y,z)", "hermann_mauguin": "P 1 2/c 1", "crystal_class": "monoclinic", "ncsym": ["x,y,z", "-x,y,-z+1/2", "x,y+1/2,z", "-x,y+1/2,-z+1/2"]}, {"symops": ["x,y,z", "-x,y,z", "x,-y,z", "-x,-y,z", "x+1/2,y,z", "-x+1/2,y,z", "x+1/2,-y,z", "-x+1/2,-y,z", "x,y+1/2,z", "-x,y+1/2,z", "x,-y+1/2,z", "-x,-y+1/2,z", "x+1/2,y+1/2,z", "-x+1/2,y+1/2,z", "x+1/2,-y+1/2,z", "-x+1/2,-y+1/2,z", "-x,-y,-z", "x,-y,-z", "-x,y,-z", "x,y,-z", "-x+1/2,-y,-z", "x+1/2,-y,-z", "-x+1/2,y,-z", "x+1/2,y,-z", "-x,-y+1/2,-z", "x,-y+1/2,-z", "-x,y+1/2,-z", "x,y+1/2,-z", "-x+1/2,-y+1/2,-z", "x+1/2,-y+1/2,-z", "-x+1/2,y+1/2,-z", "x+1/2,y+1/2,-z"], "universal_h_m": "P m m m (2*a,2*b,c)", "number": 47, "schoenflies": "D2h^1", "hall": "-P 2 2 (1/2*x,1/2*y,z)", "hermann_mauguin": "P m m m", "crystal_class": "orthorhombic", "ncsym": ["x,y,z", "-x,y,z", "x,-y,z", "-x,-y,z", "x+1/2,y,z", "-x+1/2,y,z", "x+1/2,-y,z", "-x+1/2,-y,z"]}, {"symops": ["x,y,z", "-x+1/2,y+1/2,-z"], "universal_h_m": "P 1 21 1 (a-1/4,b,c)", "number": 4, "schoenflies": "C2^2", "hall": " P 2yb (x+1/4,y,z)", "hermann_mauguin": "P 1 21 1", "crystal_class": "monoclinic", "ncsym": ["x,y,z", "-x+1/2,y+1/2,-z"]}, {"symops": ["x,y,z", "-x+1/2,y+1/2,-z", "-x,-y,z+1/2", "x+1/2,-y+1/2,-z+1/2", "-x,-y,-z+1/2", "x+1/2,-y+1/2,z+1/2", "x,y,-z", "-x+1/2,y+1/2,z"], "universal_h_m": "P n m a (c,a-1/4,b)", "number": 62, "schoenflies": "D2h^16", "hall": "-P 2ac 2n (z,x,y+1/4)", "hermann_mauguin": "P n m a", "crystal_class": "orthorhombic", "ncsym": ["x,y,z", "-x+1/2,y+1/2,-z", "-x,-y,z+1/2", "x+1/2,-y+1/2,-z+1/2", "-x,-y,-z+1/2", "x+1/2,-y+1/2,z+1/2", "x,y,-z", "-x+1/2,y+1/2,z"]}] +[{"symops": ["x,y,z"], "universal_h_m": "P 1", "number": 1, "schoenflies": "C1^1", "hall": " P 1", "hermann_mauguin": "P 1", "ncsym": ["x,y,z"], "short_h_m": "P1", "hermann_mauguin_u": "P1", "point_group": "1"}, {"symops": ["x,y,z", "-x,-y,-z"], "universal_h_m": "P -1", "number": 2, "schoenflies": "Ci^1", "hall": "-P 1", "hermann_mauguin": "P -1", "ncsym": ["x,y,z", "-x,-y,-z"], "short_h_m": "P-1", "hermann_mauguin_u": "P-1", "point_group": "-1"}, {"symops": ["x,y,z", "-x,y,-z"], "universal_h_m": "P 1 2 1", "number": 3, "schoenflies": "C2^1", "hall": " P 2y", "hermann_mauguin": "P 1 2 1", "ncsym": ["x,y,z", "-x,y,-z"], "short_h_m": "P2", "hermann_mauguin_u": "P121", "point_group": "2"}, {"symops": ["x,y,z", "-x,-y,z"], "universal_h_m": "P 1 1 2", "number": 3, "schoenflies": "C2^1", "hall": " P 2", "hermann_mauguin": "P 1 1 2", "ncsym": ["x,y,z", "-x,-y,z"], "short_h_m": "P2", "hermann_mauguin_u": "P112", "point_group": "2"}, {"symops": ["x,y,z", "x,-y,-z"], "universal_h_m": "P 2 1 1", "number": 3, "schoenflies": "C2^1", "hall": " P 2x", "hermann_mauguin": "P 2 1 1", "ncsym": ["x,y,z", "x,-y,-z"], "short_h_m": "P2", "hermann_mauguin_u": "P211", "point_group": "2"}, {"symops": ["x,y,z", "-x,y+1/2,-z"], "universal_h_m": "P 1 21 1", "number": 4, "schoenflies": "C2^2", "hall": " P 2yb", "hermann_mauguin": "P 1 21 1", "ncsym": ["x,y,z", "-x,y+1/2,-z"], "short_h_m": "P2_1", "hermann_mauguin_u": "P12_11", "point_group": "2"}, {"symops": ["x,y,z", "-x,-y,z+1/2"], "universal_h_m": "P 1 1 21", "number": 4, "schoenflies": "C2^2", "hall": " P 2c", "hermann_mauguin": "P 1 1 21", "ncsym": ["x,y,z", "-x,-y,z+1/2"], "short_h_m": "P2_1", "hermann_mauguin_u": "P112_1", "point_group": "2"}, {"symops": ["x,y,z", "x+1/2,-y,-z"], "universal_h_m": "P 21 1 1", "number": 4, "schoenflies": "C2^2", "hall": " P 2xa", "hermann_mauguin": "P 21 1 1", "ncsym": ["x,y,z", "x+1/2,-y,-z"], "short_h_m": "P2_1", "hermann_mauguin_u": "P2_111", "point_group": "2"}, {"symops": ["x,y,z", "-x,y,-z", "x+1/2,y+1/2,z", "-x+1/2,y+1/2,-z"], "universal_h_m": "C 1 2 1", "number": 5, "schoenflies": "C2^3", "hall": " C 2y", "hermann_mauguin": "C 1 2 1", "ncsym": ["x,y,z", "-x,y,-z"], "short_h_m": "C2", "hermann_mauguin_u": "C121", "point_group": "2"}, {"symops": ["x,y,z", "-x,y,-z", "x,y+1/2,z+1/2", "-x,y+1/2,-z+1/2"], "universal_h_m": "A 1 2 1", "number": 5, "schoenflies": "C2^3", "hall": " A 2y", "hermann_mauguin": "A 1 2 1", "ncsym": ["x,y,z", "-x,y,-z"], "short_h_m": "A2", "hermann_mauguin_u": "A121", "point_group": "2"}, {"symops": ["x,y,z", "-x,y,-z", "x+1/2,y+1/2,z+1/2", "-x+1/2,y+1/2,-z+1/2"], "universal_h_m": "I 1 2 1", "number": 5, "schoenflies": "C2^3", "hall": " I 2y", "hermann_mauguin": "I 1 2 1", "ncsym": ["x,y,z", "-x,y,-z"], "short_h_m": "I2", "hermann_mauguin_u": "I121", "point_group": "2"}, {"symops": ["x,y,z", "-x,-y,z", "x,y+1/2,z+1/2", "-x,-y+1/2,z+1/2"], "universal_h_m": "A 1 1 2", "number": 5, "schoenflies": "C2^3", "hall": " A 2", "hermann_mauguin": "A 1 1 2", "ncsym": ["x,y,z", "-x,-y,z"], "short_h_m": "A2", "hermann_mauguin_u": "A112", "point_group": "2"}, {"symops": ["x,y,z", "-x,-y,z", "x+1/2,y,z+1/2", "-x+1/2,-y,z+1/2"], "universal_h_m": "B 1 1 2", "number": 5, "schoenflies": "C2^3", "hall": " B 2", "hermann_mauguin": "B 1 1 2", "ncsym": ["x,y,z", "-x,-y,z"], "short_h_m": "B2", "hermann_mauguin_u": "B112", "point_group": "2"}, {"symops": ["x,y,z", "-x,-y,z", "x+1/2,y+1/2,z+1/2", "-x+1/2,-y+1/2,z+1/2"], "universal_h_m": "I 1 1 2", "number": 5, "schoenflies": "C2^3", "hall": " I 2", "hermann_mauguin": "I 1 1 2", "ncsym": ["x,y,z", "-x,-y,z"], "short_h_m": "I2", "hermann_mauguin_u": "I112", "point_group": "2"}, {"symops": ["x,y,z", "x,-y,-z", "x+1/2,y,z+1/2", "x+1/2,-y,-z+1/2"], "universal_h_m": "B 2 1 1", "number": 5, "schoenflies": "C2^3", "hall": " B 2x", "hermann_mauguin": "B 2 1 1", "ncsym": ["x,y,z", "x,-y,-z"], "short_h_m": "B2", "hermann_mauguin_u": "B211", "point_group": "2"}, {"symops": ["x,y,z", "x,-y,-z", "x+1/2,y+1/2,z", "x+1/2,-y+1/2,-z"], "universal_h_m": "C 2 1 1", "number": 5, "schoenflies": "C2^3", "hall": " C 2x", "hermann_mauguin": "C 2 1 1", "ncsym": ["x,y,z", "x,-y,-z"], "short_h_m": "C2", "hermann_mauguin_u": "C211", "point_group": "2"}, {"symops": ["x,y,z", "x,-y,-z", "x+1/2,y+1/2,z+1/2", "x+1/2,-y+1/2,-z+1/2"], "universal_h_m": "I 2 1 1", "number": 5, "schoenflies": "C2^3", "hall": " I 2x", "hermann_mauguin": "I 2 1 1", "ncsym": ["x,y,z", "x,-y,-z"], "short_h_m": "I2", "hermann_mauguin_u": "I211", "point_group": "2"}, {"symops": ["x,y,z", "x,-y,z"], "universal_h_m": "P 1 m 1", "number": 6, "schoenflies": "Cs^1", "hall": " P -2y", "hermann_mauguin": "P 1 m 1", "ncsym": ["x,y,z", "x,-y,z"], "short_h_m": "Pm", "hermann_mauguin_u": "P1m1", "point_group": "m"}, {"symops": ["x,y,z", "x,y,-z"], "universal_h_m": "P 1 1 m", "number": 6, "schoenflies": "Cs^1", "hall": " P -2", "hermann_mauguin": "P 1 1 m", "ncsym": ["x,y,z", "x,y,-z"], "short_h_m": "Pm", "hermann_mauguin_u": "P11m", "point_group": "m"}, {"symops": ["x,y,z", "-x,y,z"], "universal_h_m": "P m 1 1", "number": 6, "schoenflies": "Cs^1", "hall": " P -2x", "hermann_mauguin": "P m 1 1", "ncsym": ["x,y,z", "-x,y,z"], "short_h_m": "Pm", "hermann_mauguin_u": "Pm11", "point_group": "m"}, {"symops": ["x,y,z", "x,-y,z+1/2"], "universal_h_m": "P 1 c 1", "number": 7, "schoenflies": "Cs^2", "hall": " P -2yc", "hermann_mauguin": "P 1 c 1", "ncsym": ["x,y,z", "x,-y,z+1/2"], "short_h_m": "Pc", "hermann_mauguin_u": "P1c1", "point_group": "m"}, {"symops": ["x,y,z", "x+1/2,-y,z+1/2"], "universal_h_m": "P 1 n 1", "number": 7, "schoenflies": "Cs^2", "hall": " P -2yac", "hermann_mauguin": "P 1 n 1", "ncsym": ["x,y,z", "x+1/2,-y,z+1/2"], "short_h_m": "Pn", "hermann_mauguin_u": "P1n1", "point_group": "m"}, {"symops": ["x,y,z", "x+1/2,-y,z"], "universal_h_m": "P 1 a 1", "number": 7, "schoenflies": "Cs^2", "hall": " P -2ya", "hermann_mauguin": "P 1 a 1", "ncsym": ["x,y,z", "x+1/2,-y,z"], "short_h_m": "Pa", "hermann_mauguin_u": "P1a1", "point_group": "m"}, {"symops": ["x,y,z", "x+1/2,y,-z"], "universal_h_m": "P 1 1 a", "number": 7, "schoenflies": "Cs^2", "hall": " P -2a", "hermann_mauguin": "P 1 1 a", "ncsym": ["x,y,z", "x+1/2,y,-z"], "short_h_m": "Pa", "hermann_mauguin_u": "P11a", "point_group": "m"}, {"symops": ["x,y,z", "x+1/2,y+1/2,-z"], "universal_h_m": "P 1 1 n", "number": 7, "schoenflies": "Cs^2", "hall": " P -2ab", "hermann_mauguin": "P 1 1 n", "ncsym": ["x,y,z", "x+1/2,y+1/2,-z"], "short_h_m": "Pn", "hermann_mauguin_u": "P11n", "point_group": "m"}, {"symops": ["x,y,z", "x,y+1/2,-z"], "universal_h_m": "P 1 1 b", "number": 7, "schoenflies": "Cs^2", "hall": " P -2b", "hermann_mauguin": "P 1 1 b", "ncsym": ["x,y,z", "x,y+1/2,-z"], "short_h_m": "Pb", "hermann_mauguin_u": "P11b", "point_group": "m"}, {"symops": ["x,y,z", "-x,y+1/2,z"], "universal_h_m": "P b 1 1", "number": 7, "schoenflies": "Cs^2", "hall": " P -2xb", "hermann_mauguin": "P b 1 1", "ncsym": ["x,y,z", "-x,y+1/2,z"], "short_h_m": "Pb", "hermann_mauguin_u": "Pb11", "point_group": "m"}, {"symops": ["x,y,z", "-x,y+1/2,z+1/2"], "universal_h_m": "P n 1 1", "number": 7, "schoenflies": "Cs^2", "hall": " P -2xbc", "hermann_mauguin": "P n 1 1", "ncsym": ["x,y,z", "-x,y+1/2,z+1/2"], "short_h_m": "Pn", "hermann_mauguin_u": "Pn11", "point_group": "m"}, {"symops": ["x,y,z", "-x,y,z+1/2"], "universal_h_m": "P c 1 1", "number": 7, "schoenflies": "Cs^2", "hall": " P -2xc", "hermann_mauguin": "P c 1 1", "ncsym": ["x,y,z", "-x,y,z+1/2"], "short_h_m": "Pc", "hermann_mauguin_u": "Pc11", "point_group": "m"}, {"symops": ["x,y,z", "x,-y,z", "x+1/2,y+1/2,z", "x+1/2,-y+1/2,z"], "universal_h_m": "C 1 m 1", "number": 8, "schoenflies": "Cs^3", "hall": " C -2y", "hermann_mauguin": "C 1 m 1", "ncsym": ["x,y,z", "x,-y,z"], "short_h_m": "Cm", "hermann_mauguin_u": "C1m1", "point_group": "m"}, {"symops": ["x,y,z", "x,-y,z", "x,y+1/2,z+1/2", "x,-y+1/2,z+1/2"], "universal_h_m": "A 1 m 1", "number": 8, "schoenflies": "Cs^3", "hall": " A -2y", "hermann_mauguin": "A 1 m 1", "ncsym": ["x,y,z", "x,-y,z"], "short_h_m": "Am", "hermann_mauguin_u": "A1m1", "point_group": "m"}, {"symops": ["x,y,z", "x,-y,z", "x+1/2,y+1/2,z+1/2", "x+1/2,-y+1/2,z+1/2"], "universal_h_m": "I 1 m 1", "number": 8, "schoenflies": "Cs^3", "hall": " I -2y", "hermann_mauguin": "I 1 m 1", "ncsym": ["x,y,z", "x,-y,z"], "short_h_m": "Im", "hermann_mauguin_u": "I1m1", "point_group": "m"}, {"symops": ["x,y,z", "x,y,-z", "x,y+1/2,z+1/2", "x,y+1/2,-z+1/2"], "universal_h_m": "A 1 1 m", "number": 8, "schoenflies": "Cs^3", "hall": " A -2", "hermann_mauguin": "A 1 1 m", "ncsym": ["x,y,z", "x,y,-z"], "short_h_m": "Am", "hermann_mauguin_u": "A11m", "point_group": "m"}, {"symops": ["x,y,z", "x,y,-z", "x+1/2,y,z+1/2", "x+1/2,y,-z+1/2"], "universal_h_m": "B 1 1 m", "number": 8, "schoenflies": "Cs^3", "hall": " B -2", "hermann_mauguin": "B 1 1 m", "ncsym": ["x,y,z", "x,y,-z"], "short_h_m": "Bm", "hermann_mauguin_u": "B11m", "point_group": "m"}, {"symops": ["x,y,z", "x,y,-z", "x+1/2,y+1/2,z+1/2", "x+1/2,y+1/2,-z+1/2"], "universal_h_m": "I 1 1 m", "number": 8, "schoenflies": "Cs^3", "hall": " I -2", "hermann_mauguin": "I 1 1 m", "ncsym": ["x,y,z", "x,y,-z"], "short_h_m": "Im", "hermann_mauguin_u": "I11m", "point_group": "m"}, {"symops": ["x,y,z", "-x,y,z", "x+1/2,y,z+1/2", "-x+1/2,y,z+1/2"], "universal_h_m": "B m 1 1", "number": 8, "schoenflies": "Cs^3", "hall": " B -2x", "hermann_mauguin": "B m 1 1", "ncsym": ["x,y,z", "-x,y,z"], "short_h_m": "Bm", "hermann_mauguin_u": "Bm11", "point_group": "m"}, {"symops": ["x,y,z", "-x,y,z", "x+1/2,y+1/2,z", "-x+1/2,y+1/2,z"], "universal_h_m": "C m 1 1", "number": 8, "schoenflies": "Cs^3", "hall": " C -2x", "hermann_mauguin": "C m 1 1", "ncsym": ["x,y,z", "-x,y,z"], "short_h_m": "Cm", "hermann_mauguin_u": "Cm11", "point_group": "m"}, {"symops": ["x,y,z", "-x,y,z", "x+1/2,y+1/2,z+1/2", "-x+1/2,y+1/2,z+1/2"], "universal_h_m": "I m 1 1", "number": 8, "schoenflies": "Cs^3", "hall": " I -2x", "hermann_mauguin": "I m 1 1", "ncsym": ["x,y,z", "-x,y,z"], "short_h_m": "Im", "hermann_mauguin_u": "Im11", "point_group": "m"}, {"symops": ["x,y,z", "x,-y,z+1/2", "x+1/2,y+1/2,z", "x+1/2,-y+1/2,z+1/2"], "universal_h_m": "C 1 c 1", "number": 9, "schoenflies": "Cs^4", "hall": " C -2yc", "hermann_mauguin": "C 1 c 1", "ncsym": ["x,y,z", "x,-y,z+1/2"], "short_h_m": "Cc", "hermann_mauguin_u": "C1c1", "point_group": "m"}, {"symops": ["x,y,z", "x+1/2,-y+1/2,z", "x,y+1/2,z+1/2", "x+1/2,-y+1,z+1/2"], "universal_h_m": "A 1 n 1", "number": 9, "schoenflies": "Cs^4", "hall": " A -2yab", "hermann_mauguin": "A 1 n 1", "ncsym": ["x,y,z", "x+1/2,-y+1/2,z"], "short_h_m": "An", "hermann_mauguin_u": "A1n1", "point_group": "m"}, {"symops": ["x,y,z", "x+1/2,-y,z", "x+1/2,y+1/2,z+1/2", "x+1,-y+1/2,z+1/2"], "universal_h_m": "I 1 a 1", "number": 9, "schoenflies": "Cs^4", "hall": " I -2ya", "hermann_mauguin": "I 1 a 1", "ncsym": ["x,y,z", "x+1/2,-y,z"], "short_h_m": "Ia", "hermann_mauguin_u": "I1a1", "point_group": "m"}, {"symops": ["x,y,z", "x+1/2,-y,z", "x,y+1/2,z+1/2", "x+1/2,-y+1/2,z+1/2"], "universal_h_m": "A 1 a 1", "number": 9, "schoenflies": "Cs^4", "hall": " A -2ya", "hermann_mauguin": "A 1 a 1", "ncsym": ["x,y,z", "x+1/2,-y,z"], "short_h_m": "Aa", "hermann_mauguin_u": "A1a1", "point_group": "m"}, {"symops": ["x,y,z", "x+1/2,-y,z+1/2", "x+1/2,y+1/2,z", "x+1,-y+1/2,z+1/2"], "universal_h_m": "C 1 n 1", "number": 9, "schoenflies": "Cs^4", "hall": " C -2yac", "hermann_mauguin": "C 1 n 1", "ncsym": ["x,y,z", "x+1/2,-y,z+1/2"], "short_h_m": "Cn", "hermann_mauguin_u": "C1n1", "point_group": "m"}, {"symops": ["x,y,z", "x,-y,z+1/2", "x+1/2,y+1/2,z+1/2", "x+1/2,-y+1/2,z+1"], "universal_h_m": "I 1 c 1", "number": 9, "schoenflies": "Cs^4", "hall": " I -2yc", "hermann_mauguin": "I 1 c 1", "ncsym": ["x,y,z", "x,-y,z+1/2"], "short_h_m": "Ic", "hermann_mauguin_u": "I1c1", "point_group": "m"}, {"symops": ["x,y,z", "x+1/2,y,-z", "x,y+1/2,z+1/2", "x+1/2,y+1/2,-z+1/2"], "universal_h_m": "A 1 1 a", "number": 9, "schoenflies": "Cs^4", "hall": " A -2a", "hermann_mauguin": "A 1 1 a", "ncsym": ["x,y,z", "x+1/2,y,-z"], "short_h_m": "Aa", "hermann_mauguin_u": "A11a", "point_group": "m"}, {"symops": ["x,y,z", "x+1/2,y+1/2,-z", "x+1/2,y,z+1/2", "x+1,y+1/2,-z+1/2"], "universal_h_m": "B 1 1 n", "number": 9, "schoenflies": "Cs^4", "hall": " B -2ab", "hermann_mauguin": "B 1 1 n", "ncsym": ["x,y,z", "x+1/2,y+1/2,-z"], "short_h_m": "Bn", "hermann_mauguin_u": "B11n", "point_group": "m"}, {"symops": ["x,y,z", "x,y+1/2,-z", "x+1/2,y+1/2,z+1/2", "x+1/2,y+1,-z+1/2"], "universal_h_m": "I 1 1 b", "number": 9, "schoenflies": "Cs^4", "hall": " I -2b", "hermann_mauguin": "I 1 1 b", "ncsym": ["x,y,z", "x,y+1/2,-z"], "short_h_m": "Ib", "hermann_mauguin_u": "I11b", "point_group": "m"}, {"symops": ["x,y,z", "x,y+1/2,-z", "x+1/2,y,z+1/2", "x+1/2,y+1/2,-z+1/2"], "universal_h_m": "B 1 1 b", "number": 9, "schoenflies": "Cs^4", "hall": " B -2b", "hermann_mauguin": "B 1 1 b", "ncsym": ["x,y,z", "x,y+1/2,-z"], "short_h_m": "Bb", "hermann_mauguin_u": "B11b", "point_group": "m"}, {"symops": ["x,y,z", "x+1/2,y+1/2,-z", "x,y+1/2,z+1/2", "x+1/2,y+1,-z+1/2"], "universal_h_m": "A 1 1 n", "number": 9, "schoenflies": "Cs^4", "hall": " A -2ab", "hermann_mauguin": "A 1 1 n", "ncsym": ["x,y,z", "x+1/2,y+1/2,-z"], "short_h_m": "An", "hermann_mauguin_u": "A11n", "point_group": "m"}, {"symops": ["x,y,z", "x+1/2,y,-z", "x+1/2,y+1/2,z+1/2", "x+1,y+1/2,-z+1/2"], "universal_h_m": "I 1 1 a", "number": 9, "schoenflies": "Cs^4", "hall": " I -2a", "hermann_mauguin": "I 1 1 a", "ncsym": ["x,y,z", "x+1/2,y,-z"], "short_h_m": "Ia", "hermann_mauguin_u": "I11a", "point_group": "m"}, {"symops": ["x,y,z", "-x,y+1/2,z", "x+1/2,y,z+1/2", "-x+1/2,y+1/2,z+1/2"], "universal_h_m": "B b 1 1", "number": 9, "schoenflies": "Cs^4", "hall": " B -2xb", "hermann_mauguin": "B b 1 1", "ncsym": ["x,y,z", "-x,y+1/2,z"], "short_h_m": "Bb", "hermann_mauguin_u": "Bb11", "point_group": "m"}, {"symops": ["x,y,z", "-x+1/2,y,z+1/2", "x+1/2,y+1/2,z", "-x+1,y+1/2,z+1/2"], "universal_h_m": "C n 1 1", "number": 9, "schoenflies": "Cs^4", "hall": " C -2xac", "hermann_mauguin": "C n 1 1", "ncsym": ["x,y,z", "-x+1/2,y,z+1/2"], "short_h_m": "Cn", "hermann_mauguin_u": "Cn11", "point_group": "m"}, {"symops": ["x,y,z", "-x,y,z+1/2", "x+1/2,y+1/2,z+1/2", "-x+1/2,y+1/2,z+1"], "universal_h_m": "I c 1 1", "number": 9, "schoenflies": "Cs^4", "hall": " I -2xc", "hermann_mauguin": "I c 1 1", "ncsym": ["x,y,z", "-x,y,z+1/2"], "short_h_m": "Ic", "hermann_mauguin_u": "Ic11", "point_group": "m"}, {"symops": ["x,y,z", "-x,y,z+1/2", "x+1/2,y+1/2,z", "-x+1/2,y+1/2,z+1/2"], "universal_h_m": "C c 1 1", "number": 9, "schoenflies": "Cs^4", "hall": " C -2xc", "hermann_mauguin": "C c 1 1", "ncsym": ["x,y,z", "-x,y,z+1/2"], "short_h_m": "Cc", "hermann_mauguin_u": "Cc11", "point_group": "m"}, {"symops": ["x,y,z", "-x+1/2,y+1/2,z", "x+1/2,y,z+1/2", "-x+1,y+1/2,z+1/2"], "universal_h_m": "B n 1 1", "number": 9, "schoenflies": "Cs^4", "hall": " B -2xab", "hermann_mauguin": "B n 1 1", "ncsym": ["x,y,z", "-x+1/2,y+1/2,z"], "short_h_m": "Bn", "hermann_mauguin_u": "Bn11", "point_group": "m"}, {"symops": ["x,y,z", "-x,y+1/2,z", "x+1/2,y+1/2,z+1/2", "-x+1/2,y+1,z+1/2"], "universal_h_m": "I b 1 1", "number": 9, "schoenflies": "Cs^4", "hall": " I -2xb", "hermann_mauguin": "I b 1 1", "ncsym": ["x,y,z", "-x,y+1/2,z"], "short_h_m": "Ib", "hermann_mauguin_u": "Ib11", "point_group": "m"}, {"symops": ["x,y,z", "-x,y,-z", "-x,-y,-z", "x,-y,z"], "universal_h_m": "P 1 2/m 1", "number": 10, "schoenflies": "C2h^1", "hall": "-P 2y", "hermann_mauguin": "P 1 2/m 1", "ncsym": ["x,y,z", "-x,y,-z", "-x,-y,-z", "x,-y,z"], "short_h_m": "P2/m", "hermann_mauguin_u": "P12/m1", "point_group": "2/m"}, {"symops": ["x,y,z", "-x,-y,z", "-x,-y,-z", "x,y,-z"], "universal_h_m": "P 1 1 2/m", "number": 10, "schoenflies": "C2h^1", "hall": "-P 2", "hermann_mauguin": "P 1 1 2/m", "ncsym": ["x,y,z", "-x,-y,z", "-x,-y,-z", "x,y,-z"], "short_h_m": "P2/m", "hermann_mauguin_u": "P112/m", "point_group": "2/m"}, {"symops": ["x,y,z", "x,-y,-z", "-x,-y,-z", "-x,y,z"], "universal_h_m": "P 2/m 1 1", "number": 10, "schoenflies": "C2h^1", "hall": "-P 2x", "hermann_mauguin": "P 2/m 1 1", "ncsym": ["x,y,z", "x,-y,-z", "-x,-y,-z", "-x,y,z"], "short_h_m": "P2/m", "hermann_mauguin_u": "P2/m11", "point_group": "2/m"}, {"symops": ["x,y,z", "-x,y+1/2,-z", "-x,-y,-z", "x,-y-1/2,z"], "universal_h_m": "P 1 21/m 1", "number": 11, "schoenflies": "C2h^2", "hall": "-P 2yb", "hermann_mauguin": "P 1 21/m 1", "ncsym": ["x,y,z", "-x,y+1/2,-z", "-x,-y,-z", "x,-y-1/2,z"], "short_h_m": "P2_1/m", "hermann_mauguin_u": "P12_1/m1", "point_group": "2/m"}, {"symops": ["x,y,z", "-x,-y,z+1/2", "-x,-y,-z", "x,y,-z-1/2"], "universal_h_m": "P 1 1 21/m", "number": 11, "schoenflies": "C2h^2", "hall": "-P 2c", "hermann_mauguin": "P 1 1 21/m", "ncsym": ["x,y,z", "-x,-y,z+1/2", "-x,-y,-z", "x,y,-z-1/2"], "short_h_m": "P2_1/m", "hermann_mauguin_u": "P112_1/m", "point_group": "2/m"}, {"symops": ["x,y,z", "x+1/2,-y,-z", "-x,-y,-z", "-x-1/2,y,z"], "universal_h_m": "P 21/m 1 1", "number": 11, "schoenflies": "C2h^2", "hall": "-P 2xa", "hermann_mauguin": "P 21/m 1 1", "ncsym": ["x,y,z", "x+1/2,-y,-z", "-x,-y,-z", "-x-1/2,y,z"], "short_h_m": "P2_1/m", "hermann_mauguin_u": "P2_1/m11", "point_group": "2/m"}, {"symops": ["x,y,z", "-x,y,-z", "-x,-y,-z", "x,-y,z", "x+1/2,y+1/2,z", "-x+1/2,y+1/2,-z", "-x+1/2,-y+1/2,-z", "x+1/2,-y+1/2,z"], "universal_h_m": "C 1 2/m 1", "number": 12, "schoenflies": "C2h^3", "hall": "-C 2y", "hermann_mauguin": "C 1 2/m 1", "ncsym": ["x,y,z", "-x,y,-z", "-x,-y,-z", "x,-y,z"], "short_h_m": "C2/m", "hermann_mauguin_u": "C12/m1", "point_group": "2/m"}, {"symops": ["x,y,z", "-x,y,-z", "-x,-y,-z", "x,-y,z", "x,y+1/2,z+1/2", "-x,y+1/2,-z+1/2", "-x,-y+1/2,-z+1/2", "x,-y+1/2,z+1/2"], "universal_h_m": "A 1 2/m 1", "number": 12, "schoenflies": "C2h^3", "hall": "-A 2y", "hermann_mauguin": "A 1 2/m 1", "ncsym": ["x,y,z", "-x,y,-z", "-x,-y,-z", "x,-y,z"], "short_h_m": "A2/m", "hermann_mauguin_u": "A12/m1", "point_group": "2/m"}, {"symops": ["x,y,z", "-x,y,-z", "-x,-y,-z", "x,-y,z", "x+1/2,y+1/2,z+1/2", "-x+1/2,y+1/2,-z+1/2", "-x+1/2,-y+1/2,-z+1/2", "x+1/2,-y+1/2,z+1/2"], "universal_h_m": "I 1 2/m 1", "number": 12, "schoenflies": "C2h^3", "hall": "-I 2y", "hermann_mauguin": "I 1 2/m 1", "ncsym": ["x,y,z", "-x,y,-z", "-x,-y,-z", "x,-y,z"], "short_h_m": "I2/m", "hermann_mauguin_u": "I12/m1", "point_group": "2/m"}, {"symops": ["x,y,z", "-x,-y,z", "-x,-y,-z", "x,y,-z", "x,y+1/2,z+1/2", "-x,-y+1/2,z+1/2", "-x,-y+1/2,-z+1/2", "x,y+1/2,-z+1/2"], "universal_h_m": "A 1 1 2/m", "number": 12, "schoenflies": "C2h^3", "hall": "-A 2", "hermann_mauguin": "A 1 1 2/m", "ncsym": ["x,y,z", "-x,-y,z", "-x,-y,-z", "x,y,-z"], "short_h_m": "A2/m", "hermann_mauguin_u": "A112/m", "point_group": "2/m"}, {"symops": ["x,y,z", "-x,-y,z", "-x,-y,-z", "x,y,-z", "x+1/2,y,z+1/2", "-x+1/2,-y,z+1/2", "-x+1/2,-y,-z+1/2", "x+1/2,y,-z+1/2"], "universal_h_m": "B 1 1 2/m", "number": 12, "schoenflies": "C2h^3", "hall": "-B 2", "hermann_mauguin": "B 1 1 2/m", "ncsym": ["x,y,z", "-x,-y,z", "-x,-y,-z", "x,y,-z"], "short_h_m": "B2/m", "hermann_mauguin_u": "B112/m", "point_group": "2/m"}, {"symops": ["x,y,z", "-x,-y,z", "-x,-y,-z", "x,y,-z", "x+1/2,y+1/2,z+1/2", "-x+1/2,-y+1/2,z+1/2", "-x+1/2,-y+1/2,-z+1/2", "x+1/2,y+1/2,-z+1/2"], "universal_h_m": "I 1 1 2/m", "number": 12, "schoenflies": "C2h^3", "hall": "-I 2", "hermann_mauguin": "I 1 1 2/m", "ncsym": ["x,y,z", "-x,-y,z", "-x,-y,-z", "x,y,-z"], "short_h_m": "I2/m", "hermann_mauguin_u": "I112/m", "point_group": "2/m"}, {"symops": ["x,y,z", "x,-y,-z", "-x,-y,-z", "-x,y,z", "x+1/2,y,z+1/2", "x+1/2,-y,-z+1/2", "-x+1/2,-y,-z+1/2", "-x+1/2,y,z+1/2"], "universal_h_m": "B 2/m 1 1", "number": 12, "schoenflies": "C2h^3", "hall": "-B 2x", "hermann_mauguin": "B 2/m 1 1", "ncsym": ["x,y,z", "x,-y,-z", "-x,-y,-z", "-x,y,z"], "short_h_m": "B2/m", "hermann_mauguin_u": "B2/m11", "point_group": "2/m"}, {"symops": ["x,y,z", "x,-y,-z", "-x,-y,-z", "-x,y,z", "x+1/2,y+1/2,z", "x+1/2,-y+1/2,-z", "-x+1/2,-y+1/2,-z", "-x+1/2,y+1/2,z"], "universal_h_m": "C 2/m 1 1", "number": 12, "schoenflies": "C2h^3", "hall": "-C 2x", "hermann_mauguin": "C 2/m 1 1", "ncsym": ["x,y,z", "x,-y,-z", "-x,-y,-z", "-x,y,z"], "short_h_m": "C2/m", "hermann_mauguin_u": "C2/m11", "point_group": "2/m"}, {"symops": ["x,y,z", "x,-y,-z", "-x,-y,-z", "-x,y,z", "x+1/2,y+1/2,z+1/2", "x+1/2,-y+1/2,-z+1/2", "-x+1/2,-y+1/2,-z+1/2", "-x+1/2,y+1/2,z+1/2"], "universal_h_m": "I 2/m 1 1", "number": 12, "schoenflies": "C2h^3", "hall": "-I 2x", "hermann_mauguin": "I 2/m 1 1", "ncsym": ["x,y,z", "x,-y,-z", "-x,-y,-z", "-x,y,z"], "short_h_m": "I2/m", "hermann_mauguin_u": "I2/m11", "point_group": "2/m"}, {"symops": ["x,y,z", "-x,y,-z+1/2", "-x,-y,-z", "x,-y,z-1/2"], "universal_h_m": "P 1 2/c 1", "number": 13, "schoenflies": "C2h^4", "hall": "-P 2yc", "hermann_mauguin": "P 1 2/c 1", "ncsym": ["x,y,z", "-x,y,-z+1/2", "-x,-y,-z", "x,-y,z-1/2"], "short_h_m": "P2/c", "hermann_mauguin_u": "P12/c1", "point_group": "2/m"}, {"symops": ["x,y,z", "-x+1/2,y,-z+1/2", "-x,-y,-z", "x-1/2,-y,z-1/2"], "universal_h_m": "P 1 2/n 1", "number": 13, "schoenflies": "C2h^4", "hall": "-P 2yac", "hermann_mauguin": "P 1 2/n 1", "ncsym": ["x,y,z", "-x+1/2,y,-z+1/2", "-x,-y,-z", "x-1/2,-y,z-1/2"], "short_h_m": "P2/n", "hermann_mauguin_u": "P12/n1", "point_group": "2/m"}, {"symops": ["x,y,z", "-x+1/2,y,-z", "-x,-y,-z", "x-1/2,-y,z"], "universal_h_m": "P 1 2/a 1", "number": 13, "schoenflies": "C2h^4", "hall": "-P 2ya", "hermann_mauguin": "P 1 2/a 1", "ncsym": ["x,y,z", "-x+1/2,y,-z", "-x,-y,-z", "x-1/2,-y,z"], "short_h_m": "P2/a", "hermann_mauguin_u": "P12/a1", "point_group": "2/m"}, {"symops": ["x,y,z", "-x+1/2,-y,z", "-x,-y,-z", "x-1/2,y,-z"], "universal_h_m": "P 1 1 2/a", "number": 13, "schoenflies": "C2h^4", "hall": "-P 2a", "hermann_mauguin": "P 1 1 2/a", "ncsym": ["x,y,z", "-x+1/2,-y,z", "-x,-y,-z", "x-1/2,y,-z"], "short_h_m": "P2/a", "hermann_mauguin_u": "P112/a", "point_group": "2/m"}, {"symops": ["x,y,z", "-x+1/2,-y+1/2,z", "-x,-y,-z", "x-1/2,y-1/2,-z"], "universal_h_m": "P 1 1 2/n", "number": 13, "schoenflies": "C2h^4", "hall": "-P 2ab", "hermann_mauguin": "P 1 1 2/n", "ncsym": ["x,y,z", "-x+1/2,-y+1/2,z", "-x,-y,-z", "x-1/2,y-1/2,-z"], "short_h_m": "P2/n", "hermann_mauguin_u": "P112/n", "point_group": "2/m"}, {"symops": ["x,y,z", "-x,-y+1/2,z", "-x,-y,-z", "x,y-1/2,-z"], "universal_h_m": "P 1 1 2/b", "number": 13, "schoenflies": "C2h^4", "hall": "-P 2b", "hermann_mauguin": "P 1 1 2/b", "ncsym": ["x,y,z", "-x,-y+1/2,z", "-x,-y,-z", "x,y-1/2,-z"], "short_h_m": "P2/b", "hermann_mauguin_u": "P112/b", "point_group": "2/m"}, {"symops": ["x,y,z", "x,-y+1/2,-z", "-x,-y,-z", "-x,y-1/2,z"], "universal_h_m": "P 2/b 1 1", "number": 13, "schoenflies": "C2h^4", "hall": "-P 2xb", "hermann_mauguin": "P 2/b 1 1", "ncsym": ["x,y,z", "x,-y+1/2,-z", "-x,-y,-z", "-x,y-1/2,z"], "short_h_m": "P2/b", "hermann_mauguin_u": "P2/b11", "point_group": "2/m"}, {"symops": ["x,y,z", "x,-y+1/2,-z+1/2", "-x,-y,-z", "-x,y-1/2,z-1/2"], "universal_h_m": "P 2/n 1 1", "number": 13, "schoenflies": "C2h^4", "hall": "-P 2xbc", "hermann_mauguin": "P 2/n 1 1", "ncsym": ["x,y,z", "x,-y+1/2,-z+1/2", "-x,-y,-z", "-x,y-1/2,z-1/2"], "short_h_m": "P2/n", "hermann_mauguin_u": "P2/n11", "point_group": "2/m"}, {"symops": ["x,y,z", "x,-y,-z+1/2", "-x,-y,-z", "-x,y,z-1/2"], "universal_h_m": "P 2/c 1 1", "number": 13, "schoenflies": "C2h^4", "hall": "-P 2xc", "hermann_mauguin": "P 2/c 1 1", "ncsym": ["x,y,z", "x,-y,-z+1/2", "-x,-y,-z", "-x,y,z-1/2"], "short_h_m": "P2/c", "hermann_mauguin_u": "P2/c11", "point_group": "2/m"}, {"symops": ["x,y,z", "-x,y+1/2,-z+1/2", "-x,-y,-z", "x,-y-1/2,z-1/2"], "universal_h_m": "P 1 21/c 1", "number": 14, "schoenflies": "C2h^5", "hall": "-P 2ybc", "hermann_mauguin": "P 1 21/c 1", "ncsym": ["x,y,z", "-x,y+1/2,-z+1/2", "-x,-y,-z", "x,-y-1/2,z-1/2"], "short_h_m": "P2_1/c", "hermann_mauguin_u": "P12_1/c1", "point_group": "2/m"}, {"symops": ["x,y,z", "-x+1/2,y+1/2,-z+1/2", "-x,-y,-z", "x-1/2,-y-1/2,z-1/2"], "universal_h_m": "P 1 21/n 1", "number": 14, "schoenflies": "C2h^5", "hall": "-P 2yn", "hermann_mauguin": "P 1 21/n 1", "ncsym": ["x,y,z", "-x+1/2,y+1/2,-z+1/2", "-x,-y,-z", "x-1/2,-y-1/2,z-1/2"], "short_h_m": "P2_1/n", "hermann_mauguin_u": "P12_1/n1", "point_group": "2/m"}, {"symops": ["x,y,z", "-x+1/2,y+1/2,-z", "-x,-y,-z", "x-1/2,-y-1/2,z"], "universal_h_m": "P 1 21/a 1", "number": 14, "schoenflies": "C2h^5", "hall": "-P 2yab", "hermann_mauguin": "P 1 21/a 1", "ncsym": ["x,y,z", "-x+1/2,y+1/2,-z", "-x,-y,-z", "x-1/2,-y-1/2,z"], "short_h_m": "P2_1/a", "hermann_mauguin_u": "P12_1/a1", "point_group": "2/m"}, {"symops": ["x,y,z", "-x+1/2,-y,z+1/2", "-x,-y,-z", "x-1/2,y,-z-1/2"], "universal_h_m": "P 1 1 21/a", "number": 14, "schoenflies": "C2h^5", "hall": "-P 2ac", "hermann_mauguin": "P 1 1 21/a", "ncsym": ["x,y,z", "-x+1/2,-y,z+1/2", "-x,-y,-z", "x-1/2,y,-z-1/2"], "short_h_m": "P2_1/a", "hermann_mauguin_u": "P112_1/a", "point_group": "2/m"}, {"symops": ["x,y,z", "-x+1/2,-y+1/2,z+1/2", "-x,-y,-z", "x-1/2,y-1/2,-z-1/2"], "universal_h_m": "P 1 1 21/n", "number": 14, "schoenflies": "C2h^5", "hall": "-P 2n", "hermann_mauguin": "P 1 1 21/n", "ncsym": ["x,y,z", "-x+1/2,-y+1/2,z+1/2", "-x,-y,-z", "x-1/2,y-1/2,-z-1/2"], "short_h_m": "P2_1/n", "hermann_mauguin_u": "P112_1/n", "point_group": "2/m"}, {"symops": ["x,y,z", "-x,-y+1/2,z+1/2", "-x,-y,-z", "x,y-1/2,-z-1/2"], "universal_h_m": "P 1 1 21/b", "number": 14, "schoenflies": "C2h^5", "hall": "-P 2bc", "hermann_mauguin": "P 1 1 21/b", "ncsym": ["x,y,z", "-x,-y+1/2,z+1/2", "-x,-y,-z", "x,y-1/2,-z-1/2"], "short_h_m": "P2_1/b", "hermann_mauguin_u": "P112_1/b", "point_group": "2/m"}, {"symops": ["x,y,z", "x+1/2,-y+1/2,-z", "-x,-y,-z", "-x-1/2,y-1/2,z"], "universal_h_m": "P 21/b 1 1", "number": 14, "schoenflies": "C2h^5", "hall": "-P 2xab", "hermann_mauguin": "P 21/b 1 1", "ncsym": ["x,y,z", "x+1/2,-y+1/2,-z", "-x,-y,-z", "-x-1/2,y-1/2,z"], "short_h_m": "P2_1/b", "hermann_mauguin_u": "P2_1/b11", "point_group": "2/m"}, {"symops": ["x,y,z", "x+1/2,-y+1/2,-z+1/2", "-x,-y,-z", "-x-1/2,y-1/2,z-1/2"], "universal_h_m": "P 21/n 1 1", "number": 14, "schoenflies": "C2h^5", "hall": "-P 2xn", "hermann_mauguin": "P 21/n 1 1", "ncsym": ["x,y,z", "x+1/2,-y+1/2,-z+1/2", "-x,-y,-z", "-x-1/2,y-1/2,z-1/2"], "short_h_m": "P2_1/n", "hermann_mauguin_u": "P2_1/n11", "point_group": "2/m"}, {"symops": ["x,y,z", "x+1/2,-y,-z+1/2", "-x,-y,-z", "-x-1/2,y,z-1/2"], "universal_h_m": "P 21/c 1 1", "number": 14, "schoenflies": "C2h^5", "hall": "-P 2xac", "hermann_mauguin": "P 21/c 1 1", "ncsym": ["x,y,z", "x+1/2,-y,-z+1/2", "-x,-y,-z", "-x-1/2,y,z-1/2"], "short_h_m": "P2_1/c", "hermann_mauguin_u": "P2_1/c11", "point_group": "2/m"}, {"symops": ["x,y,z", "-x,y,-z+1/2", "-x,-y,-z", "x,-y,z-1/2", "x+1/2,y+1/2,z", "-x+1/2,y+1/2,-z+1/2", "-x+1/2,-y+1/2,-z", "x+1/2,-y+1/2,z-1/2"], "universal_h_m": "C 1 2/c 1", "number": 15, "schoenflies": "C2h^6", "hall": "-C 2yc", "hermann_mauguin": "C 1 2/c 1", "ncsym": ["x,y,z", "-x,y,-z+1/2", "-x,-y,-z", "x,-y,z-1/2"], "short_h_m": "C2/c", "hermann_mauguin_u": "C12/c1", "point_group": "2/m"}, {"symops": ["x,y,z", "-x+1/2,y+1/2,-z", "-x,-y,-z", "x-1/2,-y-1/2,z", "x,y+1/2,z+1/2", "-x+1/2,y+1,-z+1/2", "-x,-y+1/2,-z+1/2", "x-1/2,-y,z+1/2"], "universal_h_m": "A 1 2/n 1", "number": 15, "schoenflies": "C2h^6", "hall": "-A 2yab", "hermann_mauguin": "A 1 2/n 1", "ncsym": ["x,y,z", "-x+1/2,y+1/2,-z", "-x,-y,-z", "x-1/2,-y-1/2,z"], "short_h_m": "A2/n", "hermann_mauguin_u": "A12/n1", "point_group": "2/m"}, {"symops": ["x,y,z", "-x+1/2,y,-z", "-x,-y,-z", "x-1/2,-y,z", "x+1/2,y+1/2,z+1/2", "-x+1,y+1/2,-z+1/2", "-x+1/2,-y+1/2,-z+1/2", "x,-y+1/2,z+1/2"], "universal_h_m": "I 1 2/a 1", "number": 15, "schoenflies": "C2h^6", "hall": "-I 2ya", "hermann_mauguin": "I 1 2/a 1", "ncsym": ["x,y,z", "-x+1/2,y,-z", "-x,-y,-z", "x-1/2,-y,z"], "short_h_m": "I2/a", "hermann_mauguin_u": "I12/a1", "point_group": "2/m"}, {"symops": ["x,y,z", "-x+1/2,y,-z", "-x,-y,-z", "x-1/2,-y,z", "x,y+1/2,z+1/2", "-x+1/2,y+1/2,-z+1/2", "-x,-y+1/2,-z+1/2", "x-1/2,-y+1/2,z+1/2"], "universal_h_m": "A 1 2/a 1", "number": 15, "schoenflies": "C2h^6", "hall": "-A 2ya", "hermann_mauguin": "A 1 2/a 1", "ncsym": ["x,y,z", "-x+1/2,y,-z", "-x,-y,-z", "x-1/2,-y,z"], "short_h_m": "A2/a", "hermann_mauguin_u": "A12/a1", "point_group": "2/m"}, {"symops": ["x,y,z", "-x+1/2,y,-z+1/2", "-x,-y,-z", "x-1/2,-y,z-1/2", "x+1/2,y+1/2,z", "-x+1,y+1/2,-z+1/2", "-x+1/2,-y+1/2,-z", "x,-y+1/2,z-1/2"], "universal_h_m": "C 1 2/n 1", "number": 15, "schoenflies": "C2h^6", "hall": "-C 2yac", "hermann_mauguin": "C 1 2/n 1", "ncsym": ["x,y,z", "-x+1/2,y,-z+1/2", "-x,-y,-z", "x-1/2,-y,z-1/2"], "short_h_m": "C2/n", "hermann_mauguin_u": "C12/n1", "point_group": "2/m"}, {"symops": ["x,y,z", "-x,y,-z+1/2", "-x,-y,-z", "x,-y,z-1/2", "x+1/2,y+1/2,z+1/2", "-x+1/2,y+1/2,-z+1", "-x+1/2,-y+1/2,-z+1/2", "x+1/2,-y+1/2,z"], "universal_h_m": "I 1 2/c 1", "number": 15, "schoenflies": "C2h^6", "hall": "-I 2yc", "hermann_mauguin": "I 1 2/c 1", "ncsym": ["x,y,z", "-x,y,-z+1/2", "-x,-y,-z", "x,-y,z-1/2"], "short_h_m": "I2/c", "hermann_mauguin_u": "I12/c1", "point_group": "2/m"}, {"symops": ["x,y,z", "-x+1/2,-y,z", "-x,-y,-z", "x-1/2,y,-z", "x,y+1/2,z+1/2", "-x+1/2,-y+1/2,z+1/2", "-x,-y+1/2,-z+1/2", "x-1/2,y+1/2,-z+1/2"], "universal_h_m": "A 1 1 2/a", "number": 15, "schoenflies": "C2h^6", "hall": "-A 2a", "hermann_mauguin": "A 1 1 2/a", "ncsym": ["x,y,z", "-x+1/2,-y,z", "-x,-y,-z", "x-1/2,y,-z"], "short_h_m": "A2/a", "hermann_mauguin_u": "A112/a", "point_group": "2/m"}, {"symops": ["x,y,z", "-x+1/2,-y+1/2,z", "-x,-y,-z", "x-1/2,y-1/2,-z", "x+1/2,y,z+1/2", "-x+1,-y+1/2,z+1/2", "-x+1/2,-y,-z+1/2", "x,y-1/2,-z+1/2"], "universal_h_m": "B 1 1 2/n", "number": 15, "schoenflies": "C2h^6", "hall": "-B 2ab", "hermann_mauguin": "B 1 1 2/n", "ncsym": ["x,y,z", "-x+1/2,-y+1/2,z", "-x,-y,-z", "x-1/2,y-1/2,-z"], "short_h_m": "B2/n", "hermann_mauguin_u": "B112/n", "point_group": "2/m"}, {"symops": ["x,y,z", "-x,-y+1/2,z", "-x,-y,-z", "x,y-1/2,-z", "x+1/2,y+1/2,z+1/2", "-x+1/2,-y+1,z+1/2", "-x+1/2,-y+1/2,-z+1/2", "x+1/2,y,-z+1/2"], "universal_h_m": "I 1 1 2/b", "number": 15, "schoenflies": "C2h^6", "hall": "-I 2b", "hermann_mauguin": "I 1 1 2/b", "ncsym": ["x,y,z", "-x,-y+1/2,z", "-x,-y,-z", "x,y-1/2,-z"], "short_h_m": "I2/b", "hermann_mauguin_u": "I112/b", "point_group": "2/m"}, {"symops": ["x,y,z", "-x,-y+1/2,z", "-x,-y,-z", "x,y-1/2,-z", "x+1/2,y,z+1/2", "-x+1/2,-y+1/2,z+1/2", "-x+1/2,-y,-z+1/2", "x+1/2,y-1/2,-z+1/2"], "universal_h_m": "B 1 1 2/b", "number": 15, "schoenflies": "C2h^6", "hall": "-B 2b", "hermann_mauguin": "B 1 1 2/b", "ncsym": ["x,y,z", "-x,-y+1/2,z", "-x,-y,-z", "x,y-1/2,-z"], "short_h_m": "B2/b", "hermann_mauguin_u": "B112/b", "point_group": "2/m"}, {"symops": ["x,y,z", "-x+1/2,-y+1/2,z", "-x,-y,-z", "x-1/2,y-1/2,-z", "x,y+1/2,z+1/2", "-x+1/2,-y+1,z+1/2", "-x,-y+1/2,-z+1/2", "x-1/2,y,-z+1/2"], "universal_h_m": "A 1 1 2/n", "number": 15, "schoenflies": "C2h^6", "hall": "-A 2ab", "hermann_mauguin": "A 1 1 2/n", "ncsym": ["x,y,z", "-x+1/2,-y+1/2,z", "-x,-y,-z", "x-1/2,y-1/2,-z"], "short_h_m": "A2/n", "hermann_mauguin_u": "A112/n", "point_group": "2/m"}, {"symops": ["x,y,z", "-x+1/2,-y,z", "-x,-y,-z", "x-1/2,y,-z", "x+1/2,y+1/2,z+1/2", "-x+1,-y+1/2,z+1/2", "-x+1/2,-y+1/2,-z+1/2", "x,y+1/2,-z+1/2"], "universal_h_m": "I 1 1 2/a", "number": 15, "schoenflies": "C2h^6", "hall": "-I 2a", "hermann_mauguin": "I 1 1 2/a", "ncsym": ["x,y,z", "-x+1/2,-y,z", "-x,-y,-z", "x-1/2,y,-z"], "short_h_m": "I2/a", "hermann_mauguin_u": "I112/a", "point_group": "2/m"}, {"symops": ["x,y,z", "x,-y+1/2,-z", "-x,-y,-z", "-x,y-1/2,z", "x+1/2,y,z+1/2", "x+1/2,-y+1/2,-z+1/2", "-x+1/2,-y,-z+1/2", "-x+1/2,y-1/2,z+1/2"], "universal_h_m": "B 2/b 1 1", "number": 15, "schoenflies": "C2h^6", "hall": "-B 2xb", "hermann_mauguin": "B 2/b 1 1", "ncsym": ["x,y,z", "x,-y+1/2,-z", "-x,-y,-z", "-x,y-1/2,z"], "short_h_m": "B2/b", "hermann_mauguin_u": "B2/b11", "point_group": "2/m"}, {"symops": ["x,y,z", "x+1/2,-y,-z+1/2", "-x,-y,-z", "-x-1/2,y,z-1/2", "x+1/2,y+1/2,z", "x+1,-y+1/2,-z+1/2", "-x+1/2,-y+1/2,-z", "-x,y+1/2,z-1/2"], "universal_h_m": "C 2/n 1 1", "number": 15, "schoenflies": "C2h^6", "hall": "-C 2xac", "hermann_mauguin": "C 2/n 1 1", "ncsym": ["x,y,z", "x+1/2,-y,-z+1/2", "-x,-y,-z", "-x-1/2,y,z-1/2"], "short_h_m": "C2/n", "hermann_mauguin_u": "C2/n11", "point_group": "2/m"}, {"symops": ["x,y,z", "x,-y,-z+1/2", "-x,-y,-z", "-x,y,z-1/2", "x+1/2,y+1/2,z+1/2", "x+1/2,-y+1/2,-z+1", "-x+1/2,-y+1/2,-z+1/2", "-x+1/2,y+1/2,z"], "universal_h_m": "I 2/c 1 1", "number": 15, "schoenflies": "C2h^6", "hall": "-I 2xc", "hermann_mauguin": "I 2/c 1 1", "ncsym": ["x,y,z", "x,-y,-z+1/2", "-x,-y,-z", "-x,y,z-1/2"], "short_h_m": "I2/c", "hermann_mauguin_u": "I2/c11", "point_group": "2/m"}, {"symops": ["x,y,z", "x,-y,-z+1/2", "-x,-y,-z", "-x,y,z-1/2", "x+1/2,y+1/2,z", "x+1/2,-y+1/2,-z+1/2", "-x+1/2,-y+1/2,-z", "-x+1/2,y+1/2,z-1/2"], "universal_h_m": "C 2/c 1 1", "number": 15, "schoenflies": "C2h^6", "hall": "-C 2xc", "hermann_mauguin": "C 2/c 1 1", "ncsym": ["x,y,z", "x,-y,-z+1/2", "-x,-y,-z", "-x,y,z-1/2"], "short_h_m": "C2/c", "hermann_mauguin_u": "C2/c11", "point_group": "2/m"}, {"symops": ["x,y,z", "x+1/2,-y+1/2,-z", "-x,-y,-z", "-x-1/2,y-1/2,z", "x+1/2,y,z+1/2", "x+1,-y+1/2,-z+1/2", "-x+1/2,-y,-z+1/2", "-x,y-1/2,z+1/2"], "universal_h_m": "B 2/n 1 1", "number": 15, "schoenflies": "C2h^6", "hall": "-B 2xab", "hermann_mauguin": "B 2/n 1 1", "ncsym": ["x,y,z", "x+1/2,-y+1/2,-z", "-x,-y,-z", "-x-1/2,y-1/2,z"], "short_h_m": "B2/n", "hermann_mauguin_u": "B2/n11", "point_group": "2/m"}, {"symops": ["x,y,z", "x,-y+1/2,-z", "-x,-y,-z", "-x,y-1/2,z", "x+1/2,y+1/2,z+1/2", "x+1/2,-y+1,-z+1/2", "-x+1/2,-y+1/2,-z+1/2", "-x+1/2,y,z+1/2"], "universal_h_m": "I 2/b 1 1", "number": 15, "schoenflies": "C2h^6", "hall": "-I 2xb", "hermann_mauguin": "I 2/b 1 1", "ncsym": ["x,y,z", "x,-y+1/2,-z", "-x,-y,-z", "-x,y-1/2,z"], "short_h_m": "I2/b", "hermann_mauguin_u": "I2/b11", "point_group": "2/m"}, {"symops": ["x,y,z", "-x,-y,z", "x,-y,-z", "-x,y,-z"], "universal_h_m": "P 2 2 2", "number": 16, "schoenflies": "D2^1", "hall": " P 2 2", "hermann_mauguin": "P 2 2 2", "ncsym": ["x,y,z", "-x,-y,z", "x,-y,-z", "-x,y,-z"], "short_h_m": "P222", "hermann_mauguin_u": "P222", "point_group": "222"}, {"symops": ["x,y,z", "-x,-y,z+1/2", "x,-y,-z", "-x,y,-z+1/2"], "universal_h_m": "P 2 2 21", "number": 17, "schoenflies": "D2^2", "hall": " P 2c 2", "hermann_mauguin": "P 2 2 21", "ncsym": ["x,y,z", "-x,-y,z+1/2", "x,-y,-z", "-x,y,-z+1/2"], "short_h_m": "P222_1", "hermann_mauguin_u": "P222_1", "point_group": "222"}, {"symops": ["x,y,z", "-x+1/2,-y,z", "x+1/2,-y,-z", "-x,y,-z"], "universal_h_m": "P 21 2 2", "number": 17, "schoenflies": "D2^2", "hall": " P 2a 2a", "hermann_mauguin": "P 21 2 2", "ncsym": ["x,y,z", "-x+1/2,-y,z", "x+1/2,-y,-z", "-x,y,-z"], "short_h_m": "P2_122", "hermann_mauguin_u": "P2_122", "point_group": "222"}, {"symops": ["x,y,z", "-x,-y,z", "x,-y+1/2,-z", "-x,y+1/2,-z"], "universal_h_m": "P 2 21 2", "number": 17, "schoenflies": "D2^2", "hall": " P 2 2b", "hermann_mauguin": "P 2 21 2", "ncsym": ["x,y,z", "-x,-y,z", "x,-y+1/2,-z", "-x,y+1/2,-z"], "short_h_m": "P22_12", "hermann_mauguin_u": "P22_12", "point_group": "222"}, {"symops": ["x,y,z", "-x,-y,z", "x+1/2,-y+1/2,-z", "-x+1/2,y+1/2,-z"], "universal_h_m": "P 21 21 2", "number": 18, "schoenflies": "D2^3", "hall": " P 2 2ab", "hermann_mauguin": "P 21 21 2", "ncsym": ["x,y,z", "-x,-y,z", "x+1/2,-y+1/2,-z", "-x+1/2,y+1/2,-z"], "short_h_m": "P2_12_12", "hermann_mauguin_u": "P2_12_12", "point_group": "222"}, {"symops": ["x,y,z", "-x,-y+1/2,z+1/2", "x,-y,-z", "-x,y+1/2,-z+1/2"], "universal_h_m": "P 2 21 21", "number": 18, "schoenflies": "D2^3", "hall": " P 2bc 2", "hermann_mauguin": "P 2 21 21", "ncsym": ["x,y,z", "-x,-y+1/2,z+1/2", "x,-y,-z", "-x,y+1/2,-z+1/2"], "short_h_m": "P22_12_1", "hermann_mauguin_u": "P22_12_1", "point_group": "222"}, {"symops": ["x,y,z", "-x+1/2,-y,z+1/2", "x+1/2,-y,-z+1/2", "-x,y,-z"], "universal_h_m": "P 21 2 21", "number": 18, "schoenflies": "D2^3", "hall": " P 2ac 2ac", "hermann_mauguin": "P 21 2 21", "ncsym": ["x,y,z", "-x+1/2,-y,z+1/2", "x+1/2,-y,-z+1/2", "-x,y,-z"], "short_h_m": "P2_122_1", "hermann_mauguin_u": "P2_122_1", "point_group": "222"}, {"symops": ["x,y,z", "-x+1/2,-y,z+1/2", "x+1/2,-y+1/2,-z", "-x,y+1/2,-z+1/2"], "universal_h_m": "P 21 21 21", "number": 19, "schoenflies": "D2^4", "hall": " P 2ac 2ab", "hermann_mauguin": "P 21 21 21", "ncsym": ["x,y,z", "-x+1/2,-y,z+1/2", "x+1/2,-y+1/2,-z", "-x,y+1/2,-z+1/2"], "short_h_m": "P2_12_12_1", "hermann_mauguin_u": "P2_12_12_1", "point_group": "222"}, {"symops": ["x,y,z", "-x,-y,z+1/2", "x,-y,-z", "-x,y,-z+1/2", "x+1/2,y+1/2,z", "-x+1/2,-y+1/2,z+1/2", "x+1/2,-y+1/2,-z", "-x+1/2,y+1/2,-z+1/2"], "universal_h_m": "C 2 2 21", "number": 20, "schoenflies": "D2^5", "hall": " C 2c 2", "hermann_mauguin": "C 2 2 21", "ncsym": ["x,y,z", "-x,-y,z+1/2", "x,-y,-z", "-x,y,-z+1/2"], "short_h_m": "C222_1", "hermann_mauguin_u": "C222_1", "point_group": "222"}, {"symops": ["x,y,z", "-x+1/2,-y,z", "x+1/2,-y,-z", "-x,y,-z", "x,y+1/2,z+1/2", "-x+1/2,-y+1/2,z+1/2", "x+1/2,-y+1/2,-z+1/2", "-x,y+1/2,-z+1/2"], "universal_h_m": "A 21 2 2", "number": 20, "schoenflies": "D2^5", "hall": " A 2a 2a", "hermann_mauguin": "A 21 2 2", "ncsym": ["x,y,z", "-x+1/2,-y,z", "x+1/2,-y,-z", "-x,y,-z"], "short_h_m": "A2_122", "hermann_mauguin_u": "A2_122", "point_group": "222"}, {"symops": ["x,y,z", "-x,-y,z", "x,-y+1/2,-z", "-x,y+1/2,-z", "x+1/2,y,z+1/2", "-x+1/2,-y,z+1/2", "x+1/2,-y+1/2,-z+1/2", "-x+1/2,y+1/2,-z+1/2"], "universal_h_m": "B 2 21 2", "number": 20, "schoenflies": "D2^5", "hall": " B 2 2b", "hermann_mauguin": "B 2 21 2", "ncsym": ["x,y,z", "-x,-y,z", "x,-y+1/2,-z", "-x,y+1/2,-z"], "short_h_m": "B22_12", "hermann_mauguin_u": "B22_12", "point_group": "222"}, {"symops": ["x,y,z", "-x,-y,z", "x,-y,-z", "-x,y,-z", "x+1/2,y+1/2,z", "-x+1/2,-y+1/2,z", "x+1/2,-y+1/2,-z", "-x+1/2,y+1/2,-z"], "universal_h_m": "C 2 2 2", "number": 21, "schoenflies": "D2^6", "hall": " C 2 2", "hermann_mauguin": "C 2 2 2", "ncsym": ["x,y,z", "-x,-y,z", "x,-y,-z", "-x,y,-z"], "short_h_m": "C222", "hermann_mauguin_u": "C222", "point_group": "222"}, {"symops": ["x,y,z", "-x,-y,z", "x,-y,-z", "-x,y,-z", "x,y+1/2,z+1/2", "-x,-y+1/2,z+1/2", "x,-y+1/2,-z+1/2", "-x,y+1/2,-z+1/2"], "universal_h_m": "A 2 2 2", "number": 21, "schoenflies": "D2^6", "hall": " A 2 2", "hermann_mauguin": "A 2 2 2", "ncsym": ["x,y,z", "-x,-y,z", "x,-y,-z", "-x,y,-z"], "short_h_m": "A222", "hermann_mauguin_u": "A222", "point_group": "222"}, {"symops": ["x,y,z", "-x,-y,z", "x,-y,-z", "-x,y,-z", "x+1/2,y,z+1/2", "-x+1/2,-y,z+1/2", "x+1/2,-y,-z+1/2", "-x+1/2,y,-z+1/2"], "universal_h_m": "B 2 2 2", "number": 21, "schoenflies": "D2^6", "hall": " B 2 2", "hermann_mauguin": "B 2 2 2", "ncsym": ["x,y,z", "-x,-y,z", "x,-y,-z", "-x,y,-z"], "short_h_m": "B222", "hermann_mauguin_u": "B222", "point_group": "222"}, {"symops": ["x,y,z", "-x,-y,z", "x,-y,-z", "-x,y,-z", "x,y+1/2,z+1/2", "-x,-y+1/2,z+1/2", "x,-y+1/2,-z+1/2", "-x,y+1/2,-z+1/2", "x+1/2,y,z+1/2", "-x+1/2,-y,z+1/2", "x+1/2,-y,-z+1/2", "-x+1/2,y,-z+1/2", "x+1/2,y+1/2,z", "-x+1/2,-y+1/2,z", "x+1/2,-y+1/2,-z", "-x+1/2,y+1/2,-z"], "universal_h_m": "F 2 2 2", "number": 22, "schoenflies": "D2^7", "hall": " F 2 2", "hermann_mauguin": "F 2 2 2", "ncsym": ["x,y,z", "-x,-y,z", "x,-y,-z", "-x,y,-z"], "short_h_m": "F222", "hermann_mauguin_u": "F222", "point_group": "222"}, {"symops": ["x,y,z", "-x,-y,z", "x,-y,-z", "-x,y,-z", "x+1/2,y+1/2,z+1/2", "-x+1/2,-y+1/2,z+1/2", "x+1/2,-y+1/2,-z+1/2", "-x+1/2,y+1/2,-z+1/2"], "universal_h_m": "I 2 2 2", "number": 23, "schoenflies": "D2^8", "hall": " I 2 2", "hermann_mauguin": "I 2 2 2", "ncsym": ["x,y,z", "-x,-y,z", "x,-y,-z", "-x,y,-z"], "short_h_m": "I222", "hermann_mauguin_u": "I222", "point_group": "222"}, {"symops": ["x,y,z", "-x,-y+1/2,z", "x,-y,-z+1/2", "-x,y+1/2,-z+1/2", "x+1/2,y+1/2,z+1/2", "-x+1/2,-y+1,z+1/2", "x+1/2,-y+1/2,-z+1", "-x+1/2,y+1,-z+1"], "universal_h_m": "I 21 21 21", "number": 24, "schoenflies": "D2^9", "hall": " I 2b 2c", "hermann_mauguin": "I 21 21 21", "ncsym": ["x,y,z", "-x,-y+1/2,z", "x,-y,-z+1/2", "-x,y+1/2,-z+1/2"], "short_h_m": "I2_12_12_1", "hermann_mauguin_u": "I2_12_12_1", "point_group": "222"}, {"symops": ["x,y,z", "-x,-y,z", "-x,y,z", "x,-y,z"], "universal_h_m": "P m m 2", "number": 25, "schoenflies": "C2v^1", "hall": " P 2 -2", "hermann_mauguin": "P m m 2", "ncsym": ["x,y,z", "-x,-y,z", "-x,y,z", "x,-y,z"], "short_h_m": "Pmm2", "hermann_mauguin_u": "Pmm2", "point_group": "mm2"}, {"symops": ["x,y,z", "x,y,-z", "x,-y,-z", "x,-y,z"], "universal_h_m": "P 2 m m", "number": 25, "schoenflies": "C2v^1", "hall": " P -2 2", "hermann_mauguin": "P 2 m m", "ncsym": ["x,y,z", "x,y,-z", "x,-y,-z", "x,-y,z"], "short_h_m": "P2mm", "hermann_mauguin_u": "P2mm", "point_group": "mm2"}, {"symops": ["x,y,z", "x,y,-z", "-x,y,z", "-x,y,-z"], "universal_h_m": "P m 2 m", "number": 25, "schoenflies": "C2v^1", "hall": " P -2 -2", "hermann_mauguin": "P m 2 m", "ncsym": ["x,y,z", "x,y,-z", "-x,y,z", "-x,y,-z"], "short_h_m": "Pm2m", "hermann_mauguin_u": "Pm2m", "point_group": "mm2"}, {"symops": ["x,y,z", "-x,-y,z+1/2", "-x,y,z", "x,-y,z+1/2"], "universal_h_m": "P m c 21", "number": 26, "schoenflies": "C2v^2", "hall": " P 2c -2", "hermann_mauguin": "P m c 21", "ncsym": ["x,y,z", "-x,-y,z+1/2", "-x,y,z", "x,-y,z+1/2"], "short_h_m": "Pmc2_1", "hermann_mauguin_u": "Pmc2_1", "point_group": "mm2"}, {"symops": ["x,y,z", "-x,-y,z+1/2", "-x,y,z+1/2", "x,-y,z"], "universal_h_m": "P c m 21", "number": 26, "schoenflies": "C2v^2", "hall": " P 2c -2c", "hermann_mauguin": "P c m 21", "ncsym": ["x,y,z", "-x,-y,z+1/2", "-x,y,z+1/2", "x,-y,z"], "short_h_m": "Pcm2_1", "hermann_mauguin_u": "Pcm2_1", "point_group": "mm2"}, {"symops": ["x,y,z", "x+1/2,y,-z", "x+1/2,-y,-z", "x,-y,z"], "universal_h_m": "P 21 m a", "number": 26, "schoenflies": "C2v^2", "hall": " P -2a 2a", "hermann_mauguin": "P 21 m a", "ncsym": ["x,y,z", "x+1/2,y,-z", "x+1/2,-y,-z", "x,-y,z"], "short_h_m": "P2_1ma", "hermann_mauguin_u": "P2_1ma", "point_group": "mm2"}, {"symops": ["x,y,z", "x,y,-z", "x+1/2,-y,-z", "x+1/2,-y,z"], "universal_h_m": "P 21 a m", "number": 26, "schoenflies": "C2v^2", "hall": " P -2 2a", "hermann_mauguin": "P 21 a m", "ncsym": ["x,y,z", "x,y,-z", "x+1/2,-y,-z", "x+1/2,-y,z"], "short_h_m": "P2_1am", "hermann_mauguin_u": "P2_1am", "point_group": "mm2"}, {"symops": ["x,y,z", "x,y,-z", "-x,y+1/2,z", "-x,y+1/2,-z"], "universal_h_m": "P b 21 m", "number": 26, "schoenflies": "C2v^2", "hall": " P -2 -2b", "hermann_mauguin": "P b 21 m", "ncsym": ["x,y,z", "x,y,-z", "-x,y+1/2,z", "-x,y+1/2,-z"], "short_h_m": "Pb2_1m", "hermann_mauguin_u": "Pb2_1m", "point_group": "mm2"}, {"symops": ["x,y,z", "x,y+1/2,-z", "-x,y,z", "-x,y+1/2,-z"], "universal_h_m": "P m 21 b", "number": 26, "schoenflies": "C2v^2", "hall": " P -2b -2", "hermann_mauguin": "P m 21 b", "ncsym": ["x,y,z", "x,y+1/2,-z", "-x,y,z", "-x,y+1/2,-z"], "short_h_m": "Pm2_1b", "hermann_mauguin_u": "Pm2_1b", "point_group": "mm2"}, {"symops": ["x,y,z", "-x,-y,z", "-x,y,z+1/2", "x,-y,z+1/2"], "universal_h_m": "P c c 2", "number": 27, "schoenflies": "C2v^3", "hall": " P 2 -2c", "hermann_mauguin": "P c c 2", "ncsym": ["x,y,z", "-x,-y,z", "-x,y,z+1/2", "x,-y,z+1/2"], "short_h_m": "Pcc2", "hermann_mauguin_u": "Pcc2", "point_group": "mm2"}, {"symops": ["x,y,z", "x+1/2,y,-z", "x,-y,-z", "x+1/2,-y,z"], "universal_h_m": "P 2 a a", "number": 27, "schoenflies": "C2v^3", "hall": " P -2a 2", "hermann_mauguin": "P 2 a a", "ncsym": ["x,y,z", "x+1/2,y,-z", "x,-y,-z", "x+1/2,-y,z"], "short_h_m": "P2aa", "hermann_mauguin_u": "P2aa", "point_group": "mm2"}, {"symops": ["x,y,z", "x,y+1/2,-z", "-x,y+1/2,z", "-x,y,-z"], "universal_h_m": "P b 2 b", "number": 27, "schoenflies": "C2v^3", "hall": " P -2b -2b", "hermann_mauguin": "P b 2 b", "ncsym": ["x,y,z", "x,y+1/2,-z", "-x,y+1/2,z", "-x,y,-z"], "short_h_m": "Pb2b", "hermann_mauguin_u": "Pb2b", "point_group": "mm2"}, {"symops": ["x,y,z", "-x,-y,z", "-x+1/2,y,z", "x+1/2,-y,z"], "universal_h_m": "P m a 2", "number": 28, "schoenflies": "C2v^4", "hall": " P 2 -2a", "hermann_mauguin": "P m a 2", "ncsym": ["x,y,z", "-x,-y,z", "-x+1/2,y,z", "x+1/2,-y,z"], "short_h_m": "Pma2", "hermann_mauguin_u": "Pma2", "point_group": "mm2"}, {"symops": ["x,y,z", "-x,-y,z", "-x,y+1/2,z", "x,-y+1/2,z"], "universal_h_m": "P b m 2", "number": 28, "schoenflies": "C2v^4", "hall": " P 2 -2b", "hermann_mauguin": "P b m 2", "ncsym": ["x,y,z", "-x,-y,z", "-x,y+1/2,z", "x,-y+1/2,z"], "short_h_m": "Pbm2", "hermann_mauguin_u": "Pbm2", "point_group": "mm2"}, {"symops": ["x,y,z", "x,y+1/2,-z", "x,-y,-z", "x,-y+1/2,z"], "universal_h_m": "P 2 m b", "number": 28, "schoenflies": "C2v^4", "hall": " P -2b 2", "hermann_mauguin": "P 2 m b", "ncsym": ["x,y,z", "x,y+1/2,-z", "x,-y,-z", "x,-y+1/2,z"], "short_h_m": "P2mb", "hermann_mauguin_u": "P2mb", "point_group": "mm2"}, {"symops": ["x,y,z", "x,y,-z+1/2", "x,-y,-z", "x,-y,z+1/2"], "universal_h_m": "P 2 c m", "number": 28, "schoenflies": "C2v^4", "hall": " P -2c 2", "hermann_mauguin": "P 2 c m", "ncsym": ["x,y,z", "x,y,-z+1/2", "x,-y,-z", "x,-y,z+1/2"], "short_h_m": "P2cm", "hermann_mauguin_u": "P2cm", "point_group": "mm2"}, {"symops": ["x,y,z", "x,y,-z+1/2", "-x,y,z+1/2", "-x,y,-z"], "universal_h_m": "P c 2 m", "number": 28, "schoenflies": "C2v^4", "hall": " P -2c -2c", "hermann_mauguin": "P c 2 m", "ncsym": ["x,y,z", "x,y,-z+1/2", "-x,y,z+1/2", "-x,y,-z"], "short_h_m": "Pc2m", "hermann_mauguin_u": "Pc2m", "point_group": "mm2"}, {"symops": ["x,y,z", "x+1/2,y,-z", "-x+1/2,y,z", "-x,y,-z"], "universal_h_m": "P m 2 a", "number": 28, "schoenflies": "C2v^4", "hall": " P -2a -2a", "hermann_mauguin": "P m 2 a", "ncsym": ["x,y,z", "x+1/2,y,-z", "-x+1/2,y,z", "-x,y,-z"], "short_h_m": "Pm2a", "hermann_mauguin_u": "Pm2a", "point_group": "mm2"}, {"symops": ["x,y,z", "-x,-y,z+1/2", "-x+1/2,y,z+1/2", "x+1/2,-y,z"], "universal_h_m": "P c a 21", "number": 29, "schoenflies": "C2v^5", "hall": " P 2c -2ac", "hermann_mauguin": "P c a 21", "ncsym": ["x,y,z", "-x,-y,z+1/2", "-x+1/2,y,z+1/2", "x+1/2,-y,z"], "short_h_m": "Pca2_1", "hermann_mauguin_u": "Pca2_1", "point_group": "mm2"}, {"symops": ["x,y,z", "-x,-y,z+1/2", "-x,y+1/2,z", "x,-y+1/2,z+1/2"], "universal_h_m": "P b c 21", "number": 29, "schoenflies": "C2v^5", "hall": " P 2c -2b", "hermann_mauguin": "P b c 21", "ncsym": ["x,y,z", "-x,-y,z+1/2", "-x,y+1/2,z", "x,-y+1/2,z+1/2"], "short_h_m": "Pbc2_1", "hermann_mauguin_u": "Pbc2_1", "point_group": "mm2"}, {"symops": ["x,y,z", "x,y+1/2,-z", "x+1/2,-y,-z", "x+1/2,-y+1/2,z"], "universal_h_m": "P 21 a b", "number": 29, "schoenflies": "C2v^5", "hall": " P -2b 2a", "hermann_mauguin": "P 21 a b", "ncsym": ["x,y,z", "x,y+1/2,-z", "x+1/2,-y,-z", "x+1/2,-y+1/2,z"], "short_h_m": "P2_1ab", "hermann_mauguin_u": "P2_1ab", "point_group": "mm2"}, {"symops": ["x,y,z", "x+1/2,y,-z+1/2", "x+1/2,-y,-z", "x,-y,z+1/2"], "universal_h_m": "P 21 c a", "number": 29, "schoenflies": "C2v^5", "hall": " P -2ac 2a", "hermann_mauguin": "P 21 c a", "ncsym": ["x,y,z", "x+1/2,y,-z+1/2", "x+1/2,-y,-z", "x,-y,z+1/2"], "short_h_m": "P2_1ca", "hermann_mauguin_u": "P2_1ca", "point_group": "mm2"}, {"symops": ["x,y,z", "x,y+1/2,-z+1/2", "-x,y,z+1/2", "-x,y+1/2,-z"], "universal_h_m": "P c 21 b", "number": 29, "schoenflies": "C2v^5", "hall": " P -2bc -2c", "hermann_mauguin": "P c 21 b", "ncsym": ["x,y,z", "x,y+1/2,-z+1/2", "-x,y,z+1/2", "-x,y+1/2,-z"], "short_h_m": "Pc2_1b", "hermann_mauguin_u": "Pc2_1b", "point_group": "mm2"}, {"symops": ["x,y,z", "x+1/2,y,-z", "-x+1/2,y+1/2,z", "-x,y+1/2,-z"], "universal_h_m": "P b 21 a", "number": 29, "schoenflies": "C2v^5", "hall": " P -2a -2ab", "hermann_mauguin": "P b 21 a", "ncsym": ["x,y,z", "x+1/2,y,-z", "-x+1/2,y+1/2,z", "-x,y+1/2,-z"], "short_h_m": "Pb2_1a", "hermann_mauguin_u": "Pb2_1a", "point_group": "mm2"}, {"symops": ["x,y,z", "-x,-y,z", "-x,y+1/2,z+1/2", "x,-y+1/2,z+1/2"], "universal_h_m": "P n c 2", "number": 30, "schoenflies": "C2v^6", "hall": " P 2 -2bc", "hermann_mauguin": "P n c 2", "ncsym": ["x,y,z", "-x,-y,z", "-x,y+1/2,z+1/2", "x,-y+1/2,z+1/2"], "short_h_m": "Pnc2", "hermann_mauguin_u": "Pnc2", "point_group": "mm2"}, {"symops": ["x,y,z", "-x,-y,z", "-x+1/2,y,z+1/2", "x+1/2,-y,z+1/2"], "universal_h_m": "P c n 2", "number": 30, "schoenflies": "C2v^6", "hall": " P 2 -2ac", "hermann_mauguin": "P c n 2", "ncsym": ["x,y,z", "-x,-y,z", "-x+1/2,y,z+1/2", "x+1/2,-y,z+1/2"], "short_h_m": "Pcn2", "hermann_mauguin_u": "Pcn2", "point_group": "mm2"}, {"symops": ["x,y,z", "x+1/2,y,-z+1/2", "x,-y,-z", "x+1/2,-y,z+1/2"], "universal_h_m": "P 2 n a", "number": 30, "schoenflies": "C2v^6", "hall": " P -2ac 2", "hermann_mauguin": "P 2 n a", "ncsym": ["x,y,z", "x+1/2,y,-z+1/2", "x,-y,-z", "x+1/2,-y,z+1/2"], "short_h_m": "P2na", "hermann_mauguin_u": "P2na", "point_group": "mm2"}, {"symops": ["x,y,z", "x+1/2,y+1/2,-z", "x,-y,-z", "x+1/2,-y+1/2,z"], "universal_h_m": "P 2 a n", "number": 30, "schoenflies": "C2v^6", "hall": " P -2ab 2", "hermann_mauguin": "P 2 a n", "ncsym": ["x,y,z", "x+1/2,y+1/2,-z", "x,-y,-z", "x+1/2,-y+1/2,z"], "short_h_m": "P2an", "hermann_mauguin_u": "P2an", "point_group": "mm2"}, {"symops": ["x,y,z", "x+1/2,y+1/2,-z", "-x+1/2,y+1/2,z", "-x,y,-z"], "universal_h_m": "P b 2 n", "number": 30, "schoenflies": "C2v^6", "hall": " P -2ab -2ab", "hermann_mauguin": "P b 2 n", "ncsym": ["x,y,z", "x+1/2,y+1/2,-z", "-x+1/2,y+1/2,z", "-x,y,-z"], "short_h_m": "Pb2n", "hermann_mauguin_u": "Pb2n", "point_group": "mm2"}, {"symops": ["x,y,z", "x,y+1/2,-z+1/2", "-x,y+1/2,z+1/2", "-x,y,-z"], "universal_h_m": "P n 2 b", "number": 30, "schoenflies": "C2v^6", "hall": " P -2bc -2bc", "hermann_mauguin": "P n 2 b", "ncsym": ["x,y,z", "x,y+1/2,-z+1/2", "-x,y+1/2,z+1/2", "-x,y,-z"], "short_h_m": "Pn2b", "hermann_mauguin_u": "Pn2b", "point_group": "mm2"}, {"symops": ["x,y,z", "-x+1/2,-y,z+1/2", "-x,y,z", "x+1/2,-y,z+1/2"], "universal_h_m": "P m n 21", "number": 31, "schoenflies": "C2v^7", "hall": " P 2ac -2", "hermann_mauguin": "P m n 21", "ncsym": ["x,y,z", "-x+1/2,-y,z+1/2", "-x,y,z", "x+1/2,-y,z+1/2"], "short_h_m": "Pmn2_1", "hermann_mauguin_u": "Pmn2_1", "point_group": "mm2"}, {"symops": ["x,y,z", "-x,-y+1/2,z+1/2", "-x,y+1/2,z+1/2", "x,-y,z"], "universal_h_m": "P n m 21", "number": 31, "schoenflies": "C2v^7", "hall": " P 2bc -2bc", "hermann_mauguin": "P n m 21", "ncsym": ["x,y,z", "-x,-y+1/2,z+1/2", "-x,y+1/2,z+1/2", "x,-y,z"], "short_h_m": "Pnm2_1", "hermann_mauguin_u": "Pnm2_1", "point_group": "mm2"}, {"symops": ["x,y,z", "x+1/2,y+1/2,-z", "x+1/2,-y+1/2,-z", "x,-y,z"], "universal_h_m": "P 21 m n", "number": 31, "schoenflies": "C2v^7", "hall": " P -2ab 2ab", "hermann_mauguin": "P 21 m n", "ncsym": ["x,y,z", "x+1/2,y+1/2,-z", "x+1/2,-y+1/2,-z", "x,-y,z"], "short_h_m": "P2_1mn", "hermann_mauguin_u": "P2_1mn", "point_group": "mm2"}, {"symops": ["x,y,z", "x,y,-z", "x+1/2,-y,-z+1/2", "x+1/2,-y,z+1/2"], "universal_h_m": "P 21 n m", "number": 31, "schoenflies": "C2v^7", "hall": " P -2 2ac", "hermann_mauguin": "P 21 n m", "ncsym": ["x,y,z", "x,y,-z", "x+1/2,-y,-z+1/2", "x+1/2,-y,z+1/2"], "short_h_m": "P2_1nm", "hermann_mauguin_u": "P2_1nm", "point_group": "mm2"}, {"symops": ["x,y,z", "x,y,-z", "-x,y+1/2,z+1/2", "-x,y+1/2,-z+1/2"], "universal_h_m": "P n 21 m", "number": 31, "schoenflies": "C2v^7", "hall": " P -2 -2bc", "hermann_mauguin": "P n 21 m", "ncsym": ["x,y,z", "x,y,-z", "-x,y+1/2,z+1/2", "-x,y+1/2,-z+1/2"], "short_h_m": "Pn2_1m", "hermann_mauguin_u": "Pn2_1m", "point_group": "mm2"}, {"symops": ["x,y,z", "x+1/2,y+1/2,-z", "-x,y,z", "-x+1/2,y+1/2,-z"], "universal_h_m": "P m 21 n", "number": 31, "schoenflies": "C2v^7", "hall": " P -2ab -2", "hermann_mauguin": "P m 21 n", "ncsym": ["x,y,z", "x+1/2,y+1/2,-z", "-x,y,z", "-x+1/2,y+1/2,-z"], "short_h_m": "Pm2_1n", "hermann_mauguin_u": "Pm2_1n", "point_group": "mm2"}, {"symops": ["x,y,z", "-x,-y,z", "-x+1/2,y+1/2,z", "x+1/2,-y+1/2,z"], "universal_h_m": "P b a 2", "number": 32, "schoenflies": "C2v^8", "hall": " P 2 -2ab", "hermann_mauguin": "P b a 2", "ncsym": ["x,y,z", "-x,-y,z", "-x+1/2,y+1/2,z", "x+1/2,-y+1/2,z"], "short_h_m": "Pba2", "hermann_mauguin_u": "Pba2", "point_group": "mm2"}, {"symops": ["x,y,z", "x,y+1/2,-z+1/2", "x,-y,-z", "x,-y+1/2,z+1/2"], "universal_h_m": "P 2 c b", "number": 32, "schoenflies": "C2v^8", "hall": " P -2bc 2", "hermann_mauguin": "P 2 c b", "ncsym": ["x,y,z", "x,y+1/2,-z+1/2", "x,-y,-z", "x,-y+1/2,z+1/2"], "short_h_m": "P2cb", "hermann_mauguin_u": "P2cb", "point_group": "mm2"}, {"symops": ["x,y,z", "x+1/2,y,-z+1/2", "-x+1/2,y,z+1/2", "-x,y,-z"], "universal_h_m": "P c 2 a", "number": 32, "schoenflies": "C2v^8", "hall": " P -2ac -2ac", "hermann_mauguin": "P c 2 a", "ncsym": ["x,y,z", "x+1/2,y,-z+1/2", "-x+1/2,y,z+1/2", "-x,y,-z"], "short_h_m": "Pc2a", "hermann_mauguin_u": "Pc2a", "point_group": "mm2"}, {"symops": ["x,y,z", "-x,-y,z+1/2", "-x+1/2,y+1/2,z+1/2", "x+1/2,-y+1/2,z"], "universal_h_m": "P n a 21", "number": 33, "schoenflies": "C2v^9", "hall": " P 2c -2n", "hermann_mauguin": "P n a 21", "ncsym": ["x,y,z", "-x,-y,z+1/2", "-x+1/2,y+1/2,z+1/2", "x+1/2,-y+1/2,z"], "short_h_m": "Pna2_1", "hermann_mauguin_u": "Pna2_1", "point_group": "mm2"}, {"symops": ["x,y,z", "-x,-y,z+1/2", "-x+1/2,y+1/2,z", "x+1/2,-y+1/2,z+1/2"], "universal_h_m": "P b n 21", "number": 33, "schoenflies": "C2v^9", "hall": " P 2c -2ab", "hermann_mauguin": "P b n 21", "ncsym": ["x,y,z", "-x,-y,z+1/2", "-x+1/2,y+1/2,z", "x+1/2,-y+1/2,z+1/2"], "short_h_m": "Pbn2_1", "hermann_mauguin_u": "Pbn2_1", "point_group": "mm2"}, {"symops": ["x,y,z", "x,y+1/2,-z+1/2", "x+1/2,-y,-z", "x+1/2,-y+1/2,z+1/2"], "universal_h_m": "P 21 n b", "number": 33, "schoenflies": "C2v^9", "hall": " P -2bc 2a", "hermann_mauguin": "P 21 n b", "ncsym": ["x,y,z", "x,y+1/2,-z+1/2", "x+1/2,-y,-z", "x+1/2,-y+1/2,z+1/2"], "short_h_m": "P2_1nb", "hermann_mauguin_u": "P2_1nb", "point_group": "mm2"}, {"symops": ["x,y,z", "x+1/2,y+1/2,-z+1/2", "x+1/2,-y,-z", "x,-y+1/2,z+1/2"], "universal_h_m": "P 21 c n", "number": 33, "schoenflies": "C2v^9", "hall": " P -2n 2a", "hermann_mauguin": "P 21 c n", "ncsym": ["x,y,z", "x+1/2,y+1/2,-z+1/2", "x+1/2,-y,-z", "x,-y+1/2,z+1/2"], "short_h_m": "P2_1cn", "hermann_mauguin_u": "P2_1cn", "point_group": "mm2"}, {"symops": ["x,y,z", "x+1/2,y+1/2,-z+1/2", "-x+1/2,y,z+1/2", "-x,y+1/2,-z"], "universal_h_m": "P c 21 n", "number": 33, "schoenflies": "C2v^9", "hall": " P -2n -2ac", "hermann_mauguin": "P c 21 n", "ncsym": ["x,y,z", "x+1/2,y+1/2,-z+1/2", "-x+1/2,y,z+1/2", "-x,y+1/2,-z"], "short_h_m": "Pc2_1n", "hermann_mauguin_u": "Pc2_1n", "point_group": "mm2"}, {"symops": ["x,y,z", "x+1/2,y,-z+1/2", "-x+1/2,y+1/2,z+1/2", "-x,y+1/2,-z"], "universal_h_m": "P n 21 a", "number": 33, "schoenflies": "C2v^9", "hall": " P -2ac -2n", "hermann_mauguin": "P n 21 a", "ncsym": ["x,y,z", "x+1/2,y,-z+1/2", "-x+1/2,y+1/2,z+1/2", "-x,y+1/2,-z"], "short_h_m": "Pn2_1a", "hermann_mauguin_u": "Pn2_1a", "point_group": "mm2"}, {"symops": ["x,y,z", "-x,-y,z", "-x+1/2,y+1/2,z+1/2", "x+1/2,-y+1/2,z+1/2"], "universal_h_m": "P n n 2", "number": 34, "schoenflies": "C2v^10", "hall": " P 2 -2n", "hermann_mauguin": "P n n 2", "ncsym": ["x,y,z", "-x,-y,z", "-x+1/2,y+1/2,z+1/2", "x+1/2,-y+1/2,z+1/2"], "short_h_m": "Pnn2", "hermann_mauguin_u": "Pnn2", "point_group": "mm2"}, {"symops": ["x,y,z", "x+1/2,y+1/2,-z+1/2", "x,-y,-z", "x+1/2,-y+1/2,z+1/2"], "universal_h_m": "P 2 n n", "number": 34, "schoenflies": "C2v^10", "hall": " P -2n 2", "hermann_mauguin": "P 2 n n", "ncsym": ["x,y,z", "x+1/2,y+1/2,-z+1/2", "x,-y,-z", "x+1/2,-y+1/2,z+1/2"], "short_h_m": "P2nn", "hermann_mauguin_u": "P2nn", "point_group": "mm2"}, {"symops": ["x,y,z", "x+1/2,y+1/2,-z+1/2", "-x+1/2,y+1/2,z+1/2", "-x,y,-z"], "universal_h_m": "P n 2 n", "number": 34, "schoenflies": "C2v^10", "hall": " P -2n -2n", "hermann_mauguin": "P n 2 n", "ncsym": ["x,y,z", "x+1/2,y+1/2,-z+1/2", "-x+1/2,y+1/2,z+1/2", "-x,y,-z"], "short_h_m": "Pn2n", "hermann_mauguin_u": "Pn2n", "point_group": "mm2"}, {"symops": ["x,y,z", "-x,-y,z", "-x,y,z", "x,-y,z", "x+1/2,y+1/2,z", "-x+1/2,-y+1/2,z", "-x+1/2,y+1/2,z", "x+1/2,-y+1/2,z"], "universal_h_m": "C m m 2", "number": 35, "schoenflies": "C2v^11", "hall": " C 2 -2", "hermann_mauguin": "C m m 2", "ncsym": ["x,y,z", "-x,-y,z", "-x,y,z", "x,-y,z"], "short_h_m": "Cmm2", "hermann_mauguin_u": "Cmm2", "point_group": "mm2"}, {"symops": ["x,y,z", "x,y,-z", "x,-y,-z", "x,-y,z", "x,y+1/2,z+1/2", "x,y+1/2,-z+1/2", "x,-y+1/2,-z+1/2", "x,-y+1/2,z+1/2"], "universal_h_m": "A 2 m m", "number": 35, "schoenflies": "C2v^11", "hall": " A -2 2", "hermann_mauguin": "A 2 m m", "ncsym": ["x,y,z", "x,y,-z", "x,-y,-z", "x,-y,z"], "short_h_m": "A2mm", "hermann_mauguin_u": "A2mm", "point_group": "mm2"}, {"symops": ["x,y,z", "x,y,-z", "-x,y,z", "-x,y,-z", "x+1/2,y,z+1/2", "x+1/2,y,-z+1/2", "-x+1/2,y,z+1/2", "-x+1/2,y,-z+1/2"], "universal_h_m": "B m 2 m", "number": 35, "schoenflies": "C2v^11", "hall": " B -2 -2", "hermann_mauguin": "B m 2 m", "ncsym": ["x,y,z", "x,y,-z", "-x,y,z", "-x,y,-z"], "short_h_m": "Bm2m", "hermann_mauguin_u": "Bm2m", "point_group": "mm2"}, {"symops": ["x,y,z", "-x,-y,z+1/2", "-x,y,z", "x,-y,z+1/2", "x+1/2,y+1/2,z", "-x+1/2,-y+1/2,z+1/2", "-x+1/2,y+1/2,z", "x+1/2,-y+1/2,z+1/2"], "universal_h_m": "C m c 21", "number": 36, "schoenflies": "C2v^12", "hall": " C 2c -2", "hermann_mauguin": "C m c 21", "ncsym": ["x,y,z", "-x,-y,z+1/2", "-x,y,z", "x,-y,z+1/2"], "short_h_m": "Cmc2_1", "hermann_mauguin_u": "Cmc2_1", "point_group": "mm2"}, {"symops": ["x,y,z", "-x,-y,z+1/2", "-x,y,z+1/2", "x,-y,z", "x+1/2,y+1/2,z", "-x+1/2,-y+1/2,z+1/2", "-x+1/2,y+1/2,z+1/2", "x+1/2,-y+1/2,z"], "universal_h_m": "C c m 21", "number": 36, "schoenflies": "C2v^12", "hall": " C 2c -2c", "hermann_mauguin": "C c m 21", "ncsym": ["x,y,z", "-x,-y,z+1/2", "-x,y,z+1/2", "x,-y,z"], "short_h_m": "Ccm2_1", "hermann_mauguin_u": "Ccm2_1", "point_group": "mm2"}, {"symops": ["x,y,z", "x+1/2,y,-z", "x+1/2,-y,-z", "x,-y,z", "x,y+1/2,z+1/2", "x+1/2,y+1/2,-z+1/2", "x+1/2,-y+1/2,-z+1/2", "x,-y+1/2,z+1/2"], "universal_h_m": "A 21 m a", "number": 36, "schoenflies": "C2v^12", "hall": " A -2a 2a", "hermann_mauguin": "A 21 m a", "ncsym": ["x,y,z", "x+1/2,y,-z", "x+1/2,-y,-z", "x,-y,z"], "short_h_m": "A2_1ma", "hermann_mauguin_u": "A2_1ma", "point_group": "mm2"}, {"symops": ["x,y,z", "x,y,-z", "x+1/2,-y,-z", "x+1/2,-y,z", "x,y+1/2,z+1/2", "x,y+1/2,-z+1/2", "x+1/2,-y+1/2,-z+1/2", "x+1/2,-y+1/2,z+1/2"], "universal_h_m": "A 21 a m", "number": 36, "schoenflies": "C2v^12", "hall": " A -2 2a", "hermann_mauguin": "A 21 a m", "ncsym": ["x,y,z", "x,y,-z", "x+1/2,-y,-z", "x+1/2,-y,z"], "short_h_m": "A2_1am", "hermann_mauguin_u": "A2_1am", "point_group": "mm2"}, {"symops": ["x,y,z", "x,y,-z", "-x,y+1/2,z", "-x,y+1/2,-z", "x+1/2,y,z+1/2", "x+1/2,y,-z+1/2", "-x+1/2,y+1/2,z+1/2", "-x+1/2,y+1/2,-z+1/2"], "universal_h_m": "B b 21 m", "number": 36, "schoenflies": "C2v^12", "hall": " B -2 -2b", "hermann_mauguin": "B b 21 m", "ncsym": ["x,y,z", "x,y,-z", "-x,y+1/2,z", "-x,y+1/2,-z"], "short_h_m": "Bb2_1m", "hermann_mauguin_u": "Bb2_1m", "point_group": "mm2"}, {"symops": ["x,y,z", "x,y+1/2,-z", "-x,y,z", "-x,y+1/2,-z", "x+1/2,y,z+1/2", "x+1/2,y+1/2,-z+1/2", "-x+1/2,y,z+1/2", "-x+1/2,y+1/2,-z+1/2"], "universal_h_m": "B m 21 b", "number": 36, "schoenflies": "C2v^12", "hall": " B -2b -2", "hermann_mauguin": "B m 21 b", "ncsym": ["x,y,z", "x,y+1/2,-z", "-x,y,z", "-x,y+1/2,-z"], "short_h_m": "Bm2_1b", "hermann_mauguin_u": "Bm2_1b", "point_group": "mm2"}, {"symops": ["x,y,z", "-x,-y,z", "-x,y,z+1/2", "x,-y,z+1/2", "x+1/2,y+1/2,z", "-x+1/2,-y+1/2,z", "-x+1/2,y+1/2,z+1/2", "x+1/2,-y+1/2,z+1/2"], "universal_h_m": "C c c 2", "number": 37, "schoenflies": "C2v^13", "hall": " C 2 -2c", "hermann_mauguin": "C c c 2", "ncsym": ["x,y,z", "-x,-y,z", "-x,y,z+1/2", "x,-y,z+1/2"], "short_h_m": "Ccc2", "hermann_mauguin_u": "Ccc2", "point_group": "mm2"}, {"symops": ["x,y,z", "x+1/2,y,-z", "x,-y,-z", "x+1/2,-y,z", "x,y+1/2,z+1/2", "x+1/2,y+1/2,-z+1/2", "x,-y+1/2,-z+1/2", "x+1/2,-y+1/2,z+1/2"], "universal_h_m": "A 2 a a", "number": 37, "schoenflies": "C2v^13", "hall": " A -2a 2", "hermann_mauguin": "A 2 a a", "ncsym": ["x,y,z", "x+1/2,y,-z", "x,-y,-z", "x+1/2,-y,z"], "short_h_m": "A2aa", "hermann_mauguin_u": "A2aa", "point_group": "mm2"}, {"symops": ["x,y,z", "x,y+1/2,-z", "-x,y+1/2,z", "-x,y,-z", "x+1/2,y,z+1/2", "x+1/2,y+1/2,-z+1/2", "-x+1/2,y+1/2,z+1/2", "-x+1/2,y,-z+1/2"], "universal_h_m": "B b 2 b", "number": 37, "schoenflies": "C2v^13", "hall": " B -2b -2b", "hermann_mauguin": "B b 2 b", "ncsym": ["x,y,z", "x,y+1/2,-z", "-x,y+1/2,z", "-x,y,-z"], "short_h_m": "Bb2b", "hermann_mauguin_u": "Bb2b", "point_group": "mm2"}, {"symops": ["x,y,z", "-x,-y,z", "-x,y,z", "x,-y,z", "x,y+1/2,z+1/2", "-x,-y+1/2,z+1/2", "-x,y+1/2,z+1/2", "x,-y+1/2,z+1/2"], "universal_h_m": "A m m 2", "number": 38, "schoenflies": "C2v^14", "hall": " A 2 -2", "hermann_mauguin": "A m m 2", "ncsym": ["x,y,z", "-x,-y,z", "-x,y,z", "x,-y,z"], "short_h_m": "Amm2", "hermann_mauguin_u": "Amm2", "point_group": "mm2"}, {"symops": ["x,y,z", "-x,-y,z", "-x,y,z", "x,-y,z", "x+1/2,y,z+1/2", "-x+1/2,-y,z+1/2", "-x+1/2,y,z+1/2", "x+1/2,-y,z+1/2"], "universal_h_m": "B m m 2", "number": 38, "schoenflies": "C2v^14", "hall": " B 2 -2", "hermann_mauguin": "B m m 2", "ncsym": ["x,y,z", "-x,-y,z", "-x,y,z", "x,-y,z"], "short_h_m": "Bmm2", "hermann_mauguin_u": "Bmm2", "point_group": "mm2"}, {"symops": ["x,y,z", "x,y,-z", "x,-y,-z", "x,-y,z", "x+1/2,y,z+1/2", "x+1/2,y,-z+1/2", "x+1/2,-y,-z+1/2", "x+1/2,-y,z+1/2"], "universal_h_m": "B 2 m m", "number": 38, "schoenflies": "C2v^14", "hall": " B -2 2", "hermann_mauguin": "B 2 m m", "ncsym": ["x,y,z", "x,y,-z", "x,-y,-z", "x,-y,z"], "short_h_m": "B2mm", "hermann_mauguin_u": "B2mm", "point_group": "mm2"}, {"symops": ["x,y,z", "x,y,-z", "x,-y,-z", "x,-y,z", "x+1/2,y+1/2,z", "x+1/2,y+1/2,-z", "x+1/2,-y+1/2,-z", "x+1/2,-y+1/2,z"], "universal_h_m": "C 2 m m", "number": 38, "schoenflies": "C2v^14", "hall": " C -2 2", "hermann_mauguin": "C 2 m m", "ncsym": ["x,y,z", "x,y,-z", "x,-y,-z", "x,-y,z"], "short_h_m": "C2mm", "hermann_mauguin_u": "C2mm", "point_group": "mm2"}, {"symops": ["x,y,z", "x,y,-z", "-x,y,z", "-x,y,-z", "x+1/2,y+1/2,z", "x+1/2,y+1/2,-z", "-x+1/2,y+1/2,z", "-x+1/2,y+1/2,-z"], "universal_h_m": "C m 2 m", "number": 38, "schoenflies": "C2v^14", "hall": " C -2 -2", "hermann_mauguin": "C m 2 m", "ncsym": ["x,y,z", "x,y,-z", "-x,y,z", "-x,y,-z"], "short_h_m": "Cm2m", "hermann_mauguin_u": "Cm2m", "point_group": "mm2"}, {"symops": ["x,y,z", "x,y,-z", "-x,y,z", "-x,y,-z", "x,y+1/2,z+1/2", "x,y+1/2,-z+1/2", "-x,y+1/2,z+1/2", "-x,y+1/2,-z+1/2"], "universal_h_m": "A m 2 m", "number": 38, "schoenflies": "C2v^14", "hall": " A -2 -2", "hermann_mauguin": "A m 2 m", "ncsym": ["x,y,z", "x,y,-z", "-x,y,z", "-x,y,-z"], "short_h_m": "Am2m", "hermann_mauguin_u": "Am2m", "point_group": "mm2"}, {"symops": ["x,y,z", "-x,-y,z", "-x,y+1/2,z", "x,-y+1/2,z", "x,y+1/2,z+1/2", "-x,-y+1/2,z+1/2", "-x,y+1,z+1/2", "x,-y+1,z+1/2"], "universal_h_m": "A e m 2", "number": 39, "schoenflies": "C2v^15", "hall": " A 2 -2b", "hermann_mauguin": "A e m 2", "ncsym": ["x,y,z", "-x,-y,z", "-x,y+1/2,z", "x,-y+1/2,z"], "short_h_m": "Aem2", "hermann_mauguin_u": "Aem2", "point_group": "mm2"}, {"symops": ["x,y,z", "-x,-y,z", "-x+1/2,y,z", "x+1/2,-y,z", "x+1/2,y,z+1/2", "-x+1/2,-y,z+1/2", "-x+1,y,z+1/2", "x+1,-y,z+1/2"], "universal_h_m": "B m e 2", "number": 39, "schoenflies": "C2v^15", "hall": " B 2 -2a", "hermann_mauguin": "B m e 2", "ncsym": ["x,y,z", "-x,-y,z", "-x+1/2,y,z", "x+1/2,-y,z"], "short_h_m": "Bme2", "hermann_mauguin_u": "Bme2", "point_group": "mm2"}, {"symops": ["x,y,z", "x+1/2,y,-z", "x,-y,-z", "x+1/2,-y,z", "x+1/2,y,z+1/2", "x+1,y,-z+1/2", "x+1/2,-y,-z+1/2", "x+1,-y,z+1/2"], "universal_h_m": "B 2 e m", "number": 39, "schoenflies": "C2v^15", "hall": " B -2a 2", "hermann_mauguin": "B 2 e m", "ncsym": ["x,y,z", "x+1/2,y,-z", "x,-y,-z", "x+1/2,-y,z"], "short_h_m": "B2em", "hermann_mauguin_u": "B2em", "point_group": "mm2"}, {"symops": ["x,y,z", "x+1/2,y,-z", "x,-y,-z", "x+1/2,-y,z", "x+1/2,y+1/2,z", "x+1,y+1/2,-z", "x+1/2,-y+1/2,-z", "x+1,-y+1/2,z"], "universal_h_m": "C 2 m e", "number": 39, "schoenflies": "C2v^15", "hall": " C -2a 2", "hermann_mauguin": "C 2 m e", "ncsym": ["x,y,z", "x+1/2,y,-z", "x,-y,-z", "x+1/2,-y,z"], "short_h_m": "C2me", "hermann_mauguin_u": "C2me", "point_group": "mm2"}, {"symops": ["x,y,z", "x+1/2,y,-z", "-x+1/2,y,z", "-x,y,-z", "x+1/2,y+1/2,z", "x+1,y+1/2,-z", "-x+1,y+1/2,z", "-x+1/2,y+1/2,-z"], "universal_h_m": "C m 2 e", "number": 39, "schoenflies": "C2v^15", "hall": " C -2a -2a", "hermann_mauguin": "C m 2 e", "ncsym": ["x,y,z", "x+1/2,y,-z", "-x+1/2,y,z", "-x,y,-z"], "short_h_m": "Cm2e", "hermann_mauguin_u": "Cm2e", "point_group": "mm2"}, {"symops": ["x,y,z", "x,y+1/2,-z", "-x,y+1/2,z", "-x,y,-z", "x,y+1/2,z+1/2", "x,y+1,-z+1/2", "-x,y+1,z+1/2", "-x,y+1/2,-z+1/2"], "universal_h_m": "A e 2 m", "number": 39, "schoenflies": "C2v^15", "hall": " A -2b -2b", "hermann_mauguin": "A e 2 m", "ncsym": ["x,y,z", "x,y+1/2,-z", "-x,y+1/2,z", "-x,y,-z"], "short_h_m": "Ae2m", "hermann_mauguin_u": "Ae2m", "point_group": "mm2"}, {"symops": ["x,y,z", "-x,-y,z", "-x+1/2,y,z", "x+1/2,-y,z", "x,y+1/2,z+1/2", "-x,-y+1/2,z+1/2", "-x+1/2,y+1/2,z+1/2", "x+1/2,-y+1/2,z+1/2"], "universal_h_m": "A m a 2", "number": 40, "schoenflies": "C2v^16", "hall": " A 2 -2a", "hermann_mauguin": "A m a 2", "ncsym": ["x,y,z", "-x,-y,z", "-x+1/2,y,z", "x+1/2,-y,z"], "short_h_m": "Ama2", "hermann_mauguin_u": "Ama2", "point_group": "mm2"}, {"symops": ["x,y,z", "-x,-y,z", "-x,y+1/2,z", "x,-y+1/2,z", "x+1/2,y,z+1/2", "-x+1/2,-y,z+1/2", "-x+1/2,y+1/2,z+1/2", "x+1/2,-y+1/2,z+1/2"], "universal_h_m": "B b m 2", "number": 40, "schoenflies": "C2v^16", "hall": " B 2 -2b", "hermann_mauguin": "B b m 2", "ncsym": ["x,y,z", "-x,-y,z", "-x,y+1/2,z", "x,-y+1/2,z"], "short_h_m": "Bbm2", "hermann_mauguin_u": "Bbm2", "point_group": "mm2"}, {"symops": ["x,y,z", "x,y+1/2,-z", "x,-y,-z", "x,-y+1/2,z", "x+1/2,y,z+1/2", "x+1/2,y+1/2,-z+1/2", "x+1/2,-y,-z+1/2", "x+1/2,-y+1/2,z+1/2"], "universal_h_m": "B 2 m b", "number": 40, "schoenflies": "C2v^16", "hall": " B -2b 2", "hermann_mauguin": "B 2 m b", "ncsym": ["x,y,z", "x,y+1/2,-z", "x,-y,-z", "x,-y+1/2,z"], "short_h_m": "B2mb", "hermann_mauguin_u": "B2mb", "point_group": "mm2"}, {"symops": ["x,y,z", "x,y,-z+1/2", "x,-y,-z", "x,-y,z+1/2", "x+1/2,y+1/2,z", "x+1/2,y+1/2,-z+1/2", "x+1/2,-y+1/2,-z", "x+1/2,-y+1/2,z+1/2"], "universal_h_m": "C 2 c m", "number": 40, "schoenflies": "C2v^16", "hall": " C -2c 2", "hermann_mauguin": "C 2 c m", "ncsym": ["x,y,z", "x,y,-z+1/2", "x,-y,-z", "x,-y,z+1/2"], "short_h_m": "C2cm", "hermann_mauguin_u": "C2cm", "point_group": "mm2"}, {"symops": ["x,y,z", "x,y,-z+1/2", "-x,y,z+1/2", "-x,y,-z", "x+1/2,y+1/2,z", "x+1/2,y+1/2,-z+1/2", "-x+1/2,y+1/2,z+1/2", "-x+1/2,y+1/2,-z"], "universal_h_m": "C c 2 m", "number": 40, "schoenflies": "C2v^16", "hall": " C -2c -2c", "hermann_mauguin": "C c 2 m", "ncsym": ["x,y,z", "x,y,-z+1/2", "-x,y,z+1/2", "-x,y,-z"], "short_h_m": "Cc2m", "hermann_mauguin_u": "Cc2m", "point_group": "mm2"}, {"symops": ["x,y,z", "x+1/2,y,-z", "-x+1/2,y,z", "-x,y,-z", "x,y+1/2,z+1/2", "x+1/2,y+1/2,-z+1/2", "-x+1/2,y+1/2,z+1/2", "-x,y+1/2,-z+1/2"], "universal_h_m": "A m 2 a", "number": 40, "schoenflies": "C2v^16", "hall": " A -2a -2a", "hermann_mauguin": "A m 2 a", "ncsym": ["x,y,z", "x+1/2,y,-z", "-x+1/2,y,z", "-x,y,-z"], "short_h_m": "Am2a", "hermann_mauguin_u": "Am2a", "point_group": "mm2"}, {"symops": ["x,y,z", "-x,-y,z", "-x+1/2,y+1/2,z", "x+1/2,-y+1/2,z", "x,y+1/2,z+1/2", "-x,-y+1/2,z+1/2", "-x+1/2,y+1,z+1/2", "x+1/2,-y+1,z+1/2"], "universal_h_m": "A e a 2", "number": 41, "schoenflies": "C2v^17", "hall": " A 2 -2ab", "hermann_mauguin": "A e a 2", "ncsym": ["x,y,z", "-x,-y,z", "-x+1/2,y+1/2,z", "x+1/2,-y+1/2,z"], "short_h_m": "Aea2", "hermann_mauguin_u": "Aea2", "point_group": "mm2"}, {"symops": ["x,y,z", "-x,-y,z", "-x+1/2,y+1/2,z", "x+1/2,-y+1/2,z", "x+1/2,y,z+1/2", "-x+1/2,-y,z+1/2", "-x+1,y+1/2,z+1/2", "x+1,-y+1/2,z+1/2"], "universal_h_m": "B b e 2", "number": 41, "schoenflies": "C2v^17", "hall": " B 2 -2ab", "hermann_mauguin": "B b e 2", "ncsym": ["x,y,z", "-x,-y,z", "-x+1/2,y+1/2,z", "x+1/2,-y+1/2,z"], "short_h_m": "Bbe2", "hermann_mauguin_u": "Bbe2", "point_group": "mm2"}, {"symops": ["x,y,z", "x+1/2,y+1/2,-z", "x,-y,-z", "x+1/2,-y+1/2,z", "x+1/2,y,z+1/2", "x+1,y+1/2,-z+1/2", "x+1/2,-y,-z+1/2", "x+1,-y+1/2,z+1/2"], "universal_h_m": "B 2 e b", "number": 41, "schoenflies": "C2v^17", "hall": " B -2ab 2", "hermann_mauguin": "B 2 e b", "ncsym": ["x,y,z", "x+1/2,y+1/2,-z", "x,-y,-z", "x+1/2,-y+1/2,z"], "short_h_m": "B2eb", "hermann_mauguin_u": "B2eb", "point_group": "mm2"}, {"symops": ["x,y,z", "x+1/2,y,-z+1/2", "x,-y,-z", "x+1/2,-y,z+1/2", "x+1/2,y+1/2,z", "x+1,y+1/2,-z+1/2", "x+1/2,-y+1/2,-z", "x+1,-y+1/2,z+1/2"], "universal_h_m": "C 2 e b", "number": 41, "schoenflies": "C2v^17", "hall": " C -2ac 2", "hermann_mauguin": "C 2 e b", "ncsym": ["x,y,z", "x+1/2,y,-z+1/2", "x,-y,-z", "x+1/2,-y,z+1/2"], "short_h_m": "C2eb", "hermann_mauguin_u": "C2eb", "point_group": "mm2"}, {"symops": ["x,y,z", "x+1/2,y,-z+1/2", "-x+1/2,y,z+1/2", "-x,y,-z", "x+1/2,y+1/2,z", "x+1,y+1/2,-z+1/2", "-x+1,y+1/2,z+1/2", "-x+1/2,y+1/2,-z"], "universal_h_m": "C c 2 e", "number": 41, "schoenflies": "C2v^17", "hall": " C -2ac -2ac", "hermann_mauguin": "C c 2 e", "ncsym": ["x,y,z", "x+1/2,y,-z+1/2", "-x+1/2,y,z+1/2", "-x,y,-z"], "short_h_m": "Cc2e", "hermann_mauguin_u": "Cc2e", "point_group": "mm2"}, {"symops": ["x,y,z", "x+1/2,y+1/2,-z", "-x+1/2,y+1/2,z", "-x,y,-z", "x,y+1/2,z+1/2", "x+1/2,y+1,-z+1/2", "-x+1/2,y+1,z+1/2", "-x,y+1/2,-z+1/2"], "universal_h_m": "A e 2 a", "number": 41, "schoenflies": "C2v^17", "hall": " A -2ab -2ab", "hermann_mauguin": "A e 2 a", "ncsym": ["x,y,z", "x+1/2,y+1/2,-z", "-x+1/2,y+1/2,z", "-x,y,-z"], "short_h_m": "Ae2a", "hermann_mauguin_u": "Ae2a", "point_group": "mm2"}, {"symops": ["x,y,z", "-x,-y,z", "-x,y,z", "x,-y,z", "x,y+1/2,z+1/2", "-x,-y+1/2,z+1/2", "-x,y+1/2,z+1/2", "x,-y+1/2,z+1/2", "x+1/2,y,z+1/2", "-x+1/2,-y,z+1/2", "-x+1/2,y,z+1/2", "x+1/2,-y,z+1/2", "x+1/2,y+1/2,z", "-x+1/2,-y+1/2,z", "-x+1/2,y+1/2,z", "x+1/2,-y+1/2,z"], "universal_h_m": "F m m 2", "number": 42, "schoenflies": "C2v^18", "hall": " F 2 -2", "hermann_mauguin": "F m m 2", "ncsym": ["x,y,z", "-x,-y,z", "-x,y,z", "x,-y,z"], "short_h_m": "Fmm2", "hermann_mauguin_u": "Fmm2", "point_group": "mm2"}, {"symops": ["x,y,z", "x,y,-z", "x,-y,-z", "x,-y,z", "x,y+1/2,z+1/2", "x,y+1/2,-z+1/2", "x,-y+1/2,-z+1/2", "x,-y+1/2,z+1/2", "x+1/2,y,z+1/2", "x+1/2,y,-z+1/2", "x+1/2,-y,-z+1/2", "x+1/2,-y,z+1/2", "x+1/2,y+1/2,z", "x+1/2,y+1/2,-z", "x+1/2,-y+1/2,-z", "x+1/2,-y+1/2,z"], "universal_h_m": "F 2 m m", "number": 42, "schoenflies": "C2v^18", "hall": " F -2 2", "hermann_mauguin": "F 2 m m", "ncsym": ["x,y,z", "x,y,-z", "x,-y,-z", "x,-y,z"], "short_h_m": "F2mm", "hermann_mauguin_u": "F2mm", "point_group": "mm2"}, {"symops": ["x,y,z", "x,y,-z", "-x,y,z", "-x,y,-z", "x,y+1/2,z+1/2", "x,y+1/2,-z+1/2", "-x,y+1/2,z+1/2", "-x,y+1/2,-z+1/2", "x+1/2,y,z+1/2", "x+1/2,y,-z+1/2", "-x+1/2,y,z+1/2", "-x+1/2,y,-z+1/2", "x+1/2,y+1/2,z", "x+1/2,y+1/2,-z", "-x+1/2,y+1/2,z", "-x+1/2,y+1/2,-z"], "universal_h_m": "F m 2 m", "number": 42, "schoenflies": "C2v^18", "hall": " F -2 -2", "hermann_mauguin": "F m 2 m", "ncsym": ["x,y,z", "x,y,-z", "-x,y,z", "-x,y,-z"], "short_h_m": "Fm2m", "hermann_mauguin_u": "Fm2m", "point_group": "mm2"}, {"symops": ["x,y,z", "-x,-y,z", "-x+1/4,y+1/4,z+1/4", "x+3/4,-y+3/4,z+1/4", "x,y+1/2,z+1/2", "-x,-y+1/2,z+1/2", "-x+1/4,y+3/4,z+3/4", "x+3/4,-y+5/4,z+3/4", "x+1/2,y,z+1/2", "-x+1/2,-y,z+1/2", "-x+3/4,y+1/4,z+3/4", "x+5/4,-y+3/4,z+3/4", "x+1/2,y+1/2,z", "-x+1/2,-y+1/2,z", "-x+3/4,y+3/4,z+1/4", "x+5/4,-y+5/4,z+1/4"], "universal_h_m": "F d d 2", "number": 43, "schoenflies": "C2v^19", "hall": " F 2 -2d", "hermann_mauguin": "F d d 2", "ncsym": ["x,y,z", "-x,-y,z", "-x+1/4,y+1/4,z+1/4", "x+3/4,-y+3/4,z+1/4"], "short_h_m": "Fdd2", "hermann_mauguin_u": "Fdd2", "point_group": "mm2"}, {"symops": ["x,y,z", "x+1/4,y+1/4,-z+1/4", "x,-y,-z", "x+1/4,-y+1/4,z+1/4", "x,y+1/2,z+1/2", "x+1/4,y+3/4,-z+3/4", "x,-y+1/2,-z+1/2", "x+1/4,-y+3/4,z+3/4", "x+1/2,y,z+1/2", "x+3/4,y+1/4,-z+3/4", "x+1/2,-y,-z+1/2", "x+3/4,-y+1/4,z+3/4", "x+1/2,y+1/2,z", "x+3/4,y+3/4,-z+1/4", "x+1/2,-y+1/2,-z", "x+3/4,-y+3/4,z+1/4"], "universal_h_m": "F 2 d d", "number": 43, "schoenflies": "C2v^19", "hall": " F -2d 2", "hermann_mauguin": "F 2 d d", "ncsym": ["x,y,z", "x+1/4,y+1/4,-z+1/4", "x,-y,-z", "x+1/4,-y+1/4,z+1/4"], "short_h_m": "F2dd", "hermann_mauguin_u": "F2dd", "point_group": "mm2"}, {"symops": ["x,y,z", "x+1/4,y+1/4,-z+1/4", "-x+1/4,y+1/4,z+1/4", "-x+1/2,y+1/2,-z", "x,y+1/2,z+1/2", "x+1/4,y+3/4,-z+3/4", "-x+1/4,y+3/4,z+3/4", "-x+1/2,y+1,-z+1/2", "x+1/2,y,z+1/2", "x+3/4,y+1/4,-z+3/4", "-x+3/4,y+1/4,z+3/4", "-x+1,y+1/2,-z+1/2", "x+1/2,y+1/2,z", "x+3/4,y+3/4,-z+1/4", "-x+3/4,y+3/4,z+1/4", "-x+1,y+1,-z"], "universal_h_m": "F d 2 d", "number": 43, "schoenflies": "C2v^19", "hall": " F -2d -2d", "hermann_mauguin": "F d 2 d", "ncsym": ["x,y,z", "x+1/4,y+1/4,-z+1/4", "-x+1/4,y+1/4,z+1/4", "-x+1/2,y+1/2,-z"], "short_h_m": "Fd2d", "hermann_mauguin_u": "Fd2d", "point_group": "mm2"}, {"symops": ["x,y,z", "-x,-y,z", "-x,y,z", "x,-y,z", "x+1/2,y+1/2,z+1/2", "-x+1/2,-y+1/2,z+1/2", "-x+1/2,y+1/2,z+1/2", "x+1/2,-y+1/2,z+1/2"], "universal_h_m": "I m m 2", "number": 44, "schoenflies": "C2v^20", "hall": " I 2 -2", "hermann_mauguin": "I m m 2", "ncsym": ["x,y,z", "-x,-y,z", "-x,y,z", "x,-y,z"], "short_h_m": "Imm2", "hermann_mauguin_u": "Imm2", "point_group": "mm2"}, {"symops": ["x,y,z", "x,y,-z", "x,-y,-z", "x,-y,z", "x+1/2,y+1/2,z+1/2", "x+1/2,y+1/2,-z+1/2", "x+1/2,-y+1/2,-z+1/2", "x+1/2,-y+1/2,z+1/2"], "universal_h_m": "I 2 m m", "number": 44, "schoenflies": "C2v^20", "hall": " I -2 2", "hermann_mauguin": "I 2 m m", "ncsym": ["x,y,z", "x,y,-z", "x,-y,-z", "x,-y,z"], "short_h_m": "I2mm", "hermann_mauguin_u": "I2mm", "point_group": "mm2"}, {"symops": ["x,y,z", "x,y,-z", "-x,y,z", "-x,y,-z", "x+1/2,y+1/2,z+1/2", "x+1/2,y+1/2,-z+1/2", "-x+1/2,y+1/2,z+1/2", "-x+1/2,y+1/2,-z+1/2"], "universal_h_m": "I m 2 m", "number": 44, "schoenflies": "C2v^20", "hall": " I -2 -2", "hermann_mauguin": "I m 2 m", "ncsym": ["x,y,z", "x,y,-z", "-x,y,z", "-x,y,-z"], "short_h_m": "Im2m", "hermann_mauguin_u": "Im2m", "point_group": "mm2"}, {"symops": ["x,y,z", "-x,-y,z", "-x,y,z+1/2", "x,-y,z+1/2", "x+1/2,y+1/2,z+1/2", "-x+1/2,-y+1/2,z+1/2", "-x+1/2,y+1/2,z+1", "x+1/2,-y+1/2,z+1"], "universal_h_m": "I b a 2", "number": 45, "schoenflies": "C2v^21", "hall": " I 2 -2c", "hermann_mauguin": "I b a 2", "ncsym": ["x,y,z", "-x,-y,z", "-x,y,z+1/2", "x,-y,z+1/2"], "short_h_m": "Iba2", "hermann_mauguin_u": "Iba2", "point_group": "mm2"}, {"symops": ["x,y,z", "x+1/2,y,-z", "x,-y,-z", "x+1/2,-y,z", "x+1/2,y+1/2,z+1/2", "x+1,y+1/2,-z+1/2", "x+1/2,-y+1/2,-z+1/2", "x+1,-y+1/2,z+1/2"], "universal_h_m": "I 2 c b", "number": 45, "schoenflies": "C2v^21", "hall": " I -2a 2", "hermann_mauguin": "I 2 c b", "ncsym": ["x,y,z", "x+1/2,y,-z", "x,-y,-z", "x+1/2,-y,z"], "short_h_m": "I2cb", "hermann_mauguin_u": "I2cb", "point_group": "mm2"}, {"symops": ["x,y,z", "x,y+1/2,-z", "-x,y+1/2,z", "-x,y,-z", "x+1/2,y+1/2,z+1/2", "x+1/2,y+1,-z+1/2", "-x+1/2,y+1,z+1/2", "-x+1/2,y+1/2,-z+1/2"], "universal_h_m": "I c 2 a", "number": 45, "schoenflies": "C2v^21", "hall": " I -2b -2b", "hermann_mauguin": "I c 2 a", "ncsym": ["x,y,z", "x,y+1/2,-z", "-x,y+1/2,z", "-x,y,-z"], "short_h_m": "Ic2a", "hermann_mauguin_u": "Ic2a", "point_group": "mm2"}, {"symops": ["x,y,z", "-x,-y,z", "-x+1/2,y,z", "x+1/2,-y,z", "x+1/2,y+1/2,z+1/2", "-x+1/2,-y+1/2,z+1/2", "-x+1,y+1/2,z+1/2", "x+1,-y+1/2,z+1/2"], "universal_h_m": "I m a 2", "number": 46, "schoenflies": "C2v^22", "hall": " I 2 -2a", "hermann_mauguin": "I m a 2", "ncsym": ["x,y,z", "-x,-y,z", "-x+1/2,y,z", "x+1/2,-y,z"], "short_h_m": "Ima2", "hermann_mauguin_u": "Ima2", "point_group": "mm2"}, {"symops": ["x,y,z", "-x,-y,z", "-x,y+1/2,z", "x,-y+1/2,z", "x+1/2,y+1/2,z+1/2", "-x+1/2,-y+1/2,z+1/2", "-x+1/2,y+1,z+1/2", "x+1/2,-y+1,z+1/2"], "universal_h_m": "I b m 2", "number": 46, "schoenflies": "C2v^22", "hall": " I 2 -2b", "hermann_mauguin": "I b m 2", "ncsym": ["x,y,z", "-x,-y,z", "-x,y+1/2,z", "x,-y+1/2,z"], "short_h_m": "Ibm2", "hermann_mauguin_u": "Ibm2", "point_group": "mm2"}, {"symops": ["x,y,z", "x,y+1/2,-z", "x,-y,-z", "x,-y+1/2,z", "x+1/2,y+1/2,z+1/2", "x+1/2,y+1,-z+1/2", "x+1/2,-y+1/2,-z+1/2", "x+1/2,-y+1,z+1/2"], "universal_h_m": "I 2 m b", "number": 46, "schoenflies": "C2v^22", "hall": " I -2b 2", "hermann_mauguin": "I 2 m b", "ncsym": ["x,y,z", "x,y+1/2,-z", "x,-y,-z", "x,-y+1/2,z"], "short_h_m": "I2mb", "hermann_mauguin_u": "I2mb", "point_group": "mm2"}, {"symops": ["x,y,z", "x,y,-z+1/2", "x,-y,-z", "x,-y,z+1/2", "x+1/2,y+1/2,z+1/2", "x+1/2,y+1/2,-z+1", "x+1/2,-y+1/2,-z+1/2", "x+1/2,-y+1/2,z+1"], "universal_h_m": "I 2 c m", "number": 46, "schoenflies": "C2v^22", "hall": " I -2c 2", "hermann_mauguin": "I 2 c m", "ncsym": ["x,y,z", "x,y,-z+1/2", "x,-y,-z", "x,-y,z+1/2"], "short_h_m": "I2cm", "hermann_mauguin_u": "I2cm", "point_group": "mm2"}, {"symops": ["x,y,z", "x,y,-z+1/2", "-x,y,z+1/2", "-x,y,-z", "x+1/2,y+1/2,z+1/2", "x+1/2,y+1/2,-z+1", "-x+1/2,y+1/2,z+1", "-x+1/2,y+1/2,-z+1/2"], "universal_h_m": "I c 2 m", "number": 46, "schoenflies": "C2v^22", "hall": " I -2c -2c", "hermann_mauguin": "I c 2 m", "ncsym": ["x,y,z", "x,y,-z+1/2", "-x,y,z+1/2", "-x,y,-z"], "short_h_m": "Ic2m", "hermann_mauguin_u": "Ic2m", "point_group": "mm2"}, {"symops": ["x,y,z", "x+1/2,y,-z", "-x+1/2,y,z", "-x,y,-z", "x+1/2,y+1/2,z+1/2", "x+1,y+1/2,-z+1/2", "-x+1,y+1/2,z+1/2", "-x+1/2,y+1/2,-z+1/2"], "universal_h_m": "I m 2 a", "number": 46, "schoenflies": "C2v^22", "hall": " I -2a -2a", "hermann_mauguin": "I m 2 a", "ncsym": ["x,y,z", "x+1/2,y,-z", "-x+1/2,y,z", "-x,y,-z"], "short_h_m": "Im2a", "hermann_mauguin_u": "Im2a", "point_group": "mm2"}, {"symops": ["x,y,z", "-x,-y,z", "x,-y,-z", "-x,y,-z", "-x,-y,-z", "x,y,-z", "-x,y,z", "x,-y,z"], "universal_h_m": "P m m m", "number": 47, "schoenflies": "D2h^1", "hall": "-P 2 2", "hermann_mauguin": "P m m m", "ncsym": ["x,y,z", "-x,-y,z", "x,-y,-z", "-x,y,-z", "-x,-y,-z", "x,y,-z", "-x,y,z", "x,-y,z"], "short_h_m": "Pmmm", "hermann_mauguin_u": "Pmmm", "point_group": "mmm"}, {"symops": ["x,y,z", "-x,-y,z", "x,-y,-z", "-x,y,-z", "-x+1/2,-y+1/2,-z+1/2", "x+1/2,y+1/2,-z+1/2", "-x+1/2,y+1/2,z+1/2", "x+1/2,-y+1/2,z+1/2"], "universal_h_m": "P n n n :1", "number": 48, "schoenflies": "D2h^2", "hall": " P 2 2 -1n", "hermann_mauguin": "P n n n", "ncsym": ["x,y,z", "-x,-y,z", "x,-y,-z", "-x,y,-z", "-x+1/2,-y+1/2,-z+1/2", "x+1/2,y+1/2,-z+1/2", "-x+1/2,y+1/2,z+1/2", "x+1/2,-y+1/2,z+1/2"], "short_h_m": "Pnnn", "hermann_mauguin_u": "Pnnn", "point_group": "mmm"}, {"symops": ["x,y,z", "-x+1/2,-y+1/2,z", "x,-y+1/2,-z+1/2", "-x+1/2,y,-z+1/2", "-x,-y,-z", "x-1/2,y-1/2,-z", "-x,y-1/2,z-1/2", "x-1/2,-y,z-1/2"], "universal_h_m": "P n n n :2", "number": 48, "schoenflies": "D2h^2", "hall": "-P 2ab 2bc", "hermann_mauguin": "P n n n", "ncsym": ["x,y,z", "-x+1/2,-y+1/2,z", "x,-y+1/2,-z+1/2", "-x+1/2,y,-z+1/2", "-x,-y,-z", "x-1/2,y-1/2,-z", "-x,y-1/2,z-1/2", "x-1/2,-y,z-1/2"], "short_h_m": "Pnnn", "hermann_mauguin_u": "Pnnn", "point_group": "mmm"}, {"symops": ["x,y,z", "-x,-y,z", "x,-y,-z+1/2", "-x,y,-z+1/2", "-x,-y,-z", "x,y,-z", "-x,y,z-1/2", "x,-y,z-1/2"], "universal_h_m": "P c c m", "number": 49, "schoenflies": "D2h^3", "hall": "-P 2 2c", "hermann_mauguin": "P c c m", "ncsym": ["x,y,z", "-x,-y,z", "x,-y,-z+1/2", "-x,y,-z+1/2", "-x,-y,-z", "x,y,-z", "-x,y,z-1/2", "x,-y,z-1/2"], "short_h_m": "Pccm", "hermann_mauguin_u": "Pccm", "point_group": "mmm"}, {"symops": ["x,y,z", "-x+1/2,-y,z", "x,-y,-z", "-x+1/2,y,-z", "-x,-y,-z", "x-1/2,y,-z", "-x,y,z", "x-1/2,-y,z"], "universal_h_m": "P m a a", "number": 49, "schoenflies": "D2h^3", "hall": "-P 2a 2", "hermann_mauguin": "P m a a", "ncsym": ["x,y,z", "-x+1/2,-y,z", "x,-y,-z", "-x+1/2,y,-z", "-x,-y,-z", "x-1/2,y,-z", "-x,y,z", "x-1/2,-y,z"], "short_h_m": "Pmaa", "hermann_mauguin_u": "Pmaa", "point_group": "mmm"}, {"symops": ["x,y,z", "-x,-y+1/2,z", "x,-y+1/2,-z", "-x,y,-z", "-x,-y,-z", "x,y-1/2,-z", "-x,y-1/2,z", "x,-y,z"], "universal_h_m": "P b m b", "number": 49, "schoenflies": "D2h^3", "hall": "-P 2b 2b", "hermann_mauguin": "P b m b", "ncsym": ["x,y,z", "-x,-y+1/2,z", "x,-y+1/2,-z", "-x,y,-z", "-x,-y,-z", "x,y-1/2,-z", "-x,y-1/2,z", "x,-y,z"], "short_h_m": "Pbmb", "hermann_mauguin_u": "Pbmb", "point_group": "mmm"}, {"symops": ["x,y,z", "-x,-y,z", "x,-y,-z", "-x,y,-z", "-x+1/2,-y+1/2,-z", "x+1/2,y+1/2,-z", "-x+1/2,y+1/2,z", "x+1/2,-y+1/2,z"], "universal_h_m": "P b a n :1", "number": 50, "schoenflies": "D2h^4", "hall": " P 2 2 -1ab", "hermann_mauguin": "P b a n", "ncsym": ["x,y,z", "-x,-y,z", "x,-y,-z", "-x,y,-z", "-x+1/2,-y+1/2,-z", "x+1/2,y+1/2,-z", "-x+1/2,y+1/2,z", "x+1/2,-y+1/2,z"], "short_h_m": "Pban", "hermann_mauguin_u": "Pban", "point_group": "mmm"}, {"symops": ["x,y,z", "-x+1/2,-y+1/2,z", "x,-y+1/2,-z", "-x+1/2,y,-z", "-x,-y,-z", "x-1/2,y-1/2,-z", "-x,y-1/2,z", "x-1/2,-y,z"], "universal_h_m": "P b a n :2", "number": 50, "schoenflies": "D2h^4", "hall": "-P 2ab 2b", "hermann_mauguin": "P b a n", "ncsym": ["x,y,z", "-x+1/2,-y+1/2,z", "x,-y+1/2,-z", "-x+1/2,y,-z", "-x,-y,-z", "x-1/2,y-1/2,-z", "-x,y-1/2,z", "x-1/2,-y,z"], "short_h_m": "Pban", "hermann_mauguin_u": "Pban", "point_group": "mmm"}, {"symops": ["x,y,z", "-x,-y,z", "x,-y,-z", "-x,y,-z", "-x,-y+1/2,-z+1/2", "x,y+1/2,-z+1/2", "-x,y+1/2,z+1/2", "x,-y+1/2,z+1/2"], "universal_h_m": "P n c b :1", "number": 50, "schoenflies": "D2h^4", "hall": " P 2 2 -1bc", "hermann_mauguin": "P n c b", "ncsym": ["x,y,z", "-x,-y,z", "x,-y,-z", "-x,y,-z", "-x,-y+1/2,-z+1/2", "x,y+1/2,-z+1/2", "-x,y+1/2,z+1/2", "x,-y+1/2,z+1/2"], "short_h_m": "Pncb", "hermann_mauguin_u": "Pncb", "point_group": "mmm"}, {"symops": ["x,y,z", "-x,-y+1/2,z", "x,-y+1/2,-z+1/2", "-x,y,-z+1/2", "-x,-y,-z", "x,y-1/2,-z", "-x,y-1/2,z-1/2", "x,-y,z-1/2"], "universal_h_m": "P n c b :2", "number": 50, "schoenflies": "D2h^4", "hall": "-P 2b 2bc", "hermann_mauguin": "P n c b", "ncsym": ["x,y,z", "-x,-y+1/2,z", "x,-y+1/2,-z+1/2", "-x,y,-z+1/2", "-x,-y,-z", "x,y-1/2,-z", "-x,y-1/2,z-1/2", "x,-y,z-1/2"], "short_h_m": "Pncb", "hermann_mauguin_u": "Pncb", "point_group": "mmm"}, {"symops": ["x,y,z", "-x,-y,z", "x,-y,-z", "-x,y,-z", "-x+1/2,-y,-z+1/2", "x+1/2,y,-z+1/2", "-x+1/2,y,z+1/2", "x+1/2,-y,z+1/2"], "universal_h_m": "P c n a :1", "number": 50, "schoenflies": "D2h^4", "hall": " P 2 2 -1ac", "hermann_mauguin": "P c n a", "ncsym": ["x,y,z", "-x,-y,z", "x,-y,-z", "-x,y,-z", "-x+1/2,-y,-z+1/2", "x+1/2,y,-z+1/2", "-x+1/2,y,z+1/2", "x+1/2,-y,z+1/2"], "short_h_m": "Pcna", "hermann_mauguin_u": "Pcna", "point_group": "mmm"}, {"symops": ["x,y,z", "-x+1/2,-y,z", "x,-y,-z+1/2", "-x+1/2,y,-z+1/2", "-x,-y,-z", "x-1/2,y,-z", "-x,y,z-1/2", "x-1/2,-y,z-1/2"], "universal_h_m": "P c n a :2", "number": 50, "schoenflies": "D2h^4", "hall": "-P 2a 2c", "hermann_mauguin": "P c n a", "ncsym": ["x,y,z", "-x+1/2,-y,z", "x,-y,-z+1/2", "-x+1/2,y,-z+1/2", "-x,-y,-z", "x-1/2,y,-z", "-x,y,z-1/2", "x-1/2,-y,z-1/2"], "short_h_m": "Pcna", "hermann_mauguin_u": "Pcna", "point_group": "mmm"}, {"symops": ["x,y,z", "-x+1/2,-y,z", "x+1/2,-y,-z", "-x,y,-z", "-x,-y,-z", "x-1/2,y,-z", "-x-1/2,y,z", "x,-y,z"], "universal_h_m": "P m m a", "number": 51, "schoenflies": "D2h^5", "hall": "-P 2a 2a", "hermann_mauguin": "P m m a", "ncsym": ["x,y,z", "-x+1/2,-y,z", "x+1/2,-y,-z", "-x,y,-z", "-x,-y,-z", "x-1/2,y,-z", "-x-1/2,y,z", "x,-y,z"], "short_h_m": "Pmma", "hermann_mauguin_u": "Pmma", "point_group": "mmm"}, {"symops": ["x,y,z", "-x,-y+1/2,z", "x,-y,-z", "-x,y+1/2,-z", "-x,-y,-z", "x,y-1/2,-z", "-x,y,z", "x,-y-1/2,z"], "universal_h_m": "P m m b", "number": 51, "schoenflies": "D2h^5", "hall": "-P 2b 2", "hermann_mauguin": "P m m b", "ncsym": ["x,y,z", "-x,-y+1/2,z", "x,-y,-z", "-x,y+1/2,-z", "-x,-y,-z", "x,y-1/2,-z", "-x,y,z", "x,-y-1/2,z"], "short_h_m": "Pmmb", "hermann_mauguin_u": "Pmmb", "point_group": "mmm"}, {"symops": ["x,y,z", "-x,-y,z", "x,-y+1/2,-z", "-x,y+1/2,-z", "-x,-y,-z", "x,y,-z", "-x,y-1/2,z", "x,-y-1/2,z"], "universal_h_m": "P b m m", "number": 51, "schoenflies": "D2h^5", "hall": "-P 2 2b", "hermann_mauguin": "P b m m", "ncsym": ["x,y,z", "-x,-y,z", "x,-y+1/2,-z", "-x,y+1/2,-z", "-x,-y,-z", "x,y,-z", "-x,y-1/2,z", "x,-y-1/2,z"], "short_h_m": "Pbmm", "hermann_mauguin_u": "Pbmm", "point_group": "mmm"}, {"symops": ["x,y,z", "-x,-y,z+1/2", "x,-y,-z+1/2", "-x,y,-z", "-x,-y,-z", "x,y,-z-1/2", "-x,y,z-1/2", "x,-y,z"], "universal_h_m": "P c m m", "number": 51, "schoenflies": "D2h^5", "hall": "-P 2c 2c", "hermann_mauguin": "P c m m", "ncsym": ["x,y,z", "-x,-y,z+1/2", "x,-y,-z+1/2", "-x,y,-z", "-x,-y,-z", "x,y,-z-1/2", "-x,y,z-1/2", "x,-y,z"], "short_h_m": "Pcmm", "hermann_mauguin_u": "Pcmm", "point_group": "mmm"}, {"symops": ["x,y,z", "-x,-y,z+1/2", "x,-y,-z", "-x,y,-z+1/2", "-x,-y,-z", "x,y,-z-1/2", "-x,y,z", "x,-y,z-1/2"], "universal_h_m": "P m c m", "number": 51, "schoenflies": "D2h^5", "hall": "-P 2c 2", "hermann_mauguin": "P m c m", "ncsym": ["x,y,z", "-x,-y,z+1/2", "x,-y,-z", "-x,y,-z+1/2", "-x,-y,-z", "x,y,-z-1/2", "-x,y,z", "x,-y,z-1/2"], "short_h_m": "Pmcm", "hermann_mauguin_u": "Pmcm", "point_group": "mmm"}, {"symops": ["x,y,z", "-x,-y,z", "x+1/2,-y,-z", "-x+1/2,y,-z", "-x,-y,-z", "x,y,-z", "-x-1/2,y,z", "x-1/2,-y,z"], "universal_h_m": "P m a m", "number": 51, "schoenflies": "D2h^5", "hall": "-P 2 2a", "hermann_mauguin": "P m a m", "ncsym": ["x,y,z", "-x,-y,z", "x+1/2,-y,-z", "-x+1/2,y,-z", "-x,-y,-z", "x,y,-z", "-x-1/2,y,z", "x-1/2,-y,z"], "short_h_m": "Pmam", "hermann_mauguin_u": "Pmam", "point_group": "mmm"}, {"symops": ["x,y,z", "-x+1/2,-y,z", "x,-y+1/2,-z+1/2", "-x+1/2,y+1/2,-z+1/2", "-x,-y,-z", "x-1/2,y,-z", "-x,y-1/2,z-1/2", "x-1/2,-y-1/2,z-1/2"], "universal_h_m": "P n n a", "number": 52, "schoenflies": "D2h^6", "hall": "-P 2a 2bc", "hermann_mauguin": "P n n a", "ncsym": ["x,y,z", "-x+1/2,-y,z", "x,-y+1/2,-z+1/2", "-x+1/2,y+1/2,-z+1/2", "-x,-y,-z", "x-1/2,y,-z", "-x,y-1/2,z-1/2", "x-1/2,-y-1/2,z-1/2"], "short_h_m": "Pnna", "hermann_mauguin_u": "Pnna", "point_group": "mmm"}, {"symops": ["x,y,z", "-x,-y+1/2,z", "x+1/2,-y+1/2,-z+1/2", "-x+1/2,y,-z+1/2", "-x,-y,-z", "x,y-1/2,-z", "-x-1/2,y-1/2,z-1/2", "x-1/2,-y,z-1/2"], "universal_h_m": "P n n b", "number": 52, "schoenflies": "D2h^6", "hall": "-P 2b 2n", "hermann_mauguin": "P n n b", "ncsym": ["x,y,z", "-x,-y+1/2,z", "x+1/2,-y+1/2,-z+1/2", "-x+1/2,y,-z+1/2", "-x,-y,-z", "x,y-1/2,-z", "-x-1/2,y-1/2,z-1/2", "x-1/2,-y,z-1/2"], "short_h_m": "Pnnb", "hermann_mauguin_u": "Pnnb", "point_group": "mmm"}, {"symops": ["x,y,z", "-x+1/2,-y+1/2,z+1/2", "x,-y+1/2,-z", "-x+1/2,y,-z+1/2", "-x,-y,-z", "x-1/2,y-1/2,-z-1/2", "-x,y-1/2,z", "x-1/2,-y,z-1/2"], "universal_h_m": "P b n n", "number": 52, "schoenflies": "D2h^6", "hall": "-P 2n 2b", "hermann_mauguin": "P b n n", "ncsym": ["x,y,z", "-x+1/2,-y+1/2,z+1/2", "x,-y+1/2,-z", "-x+1/2,y,-z+1/2", "-x,-y,-z", "x-1/2,y-1/2,-z-1/2", "-x,y-1/2,z", "x-1/2,-y,z-1/2"], "short_h_m": "Pbnn", "hermann_mauguin_u": "Pbnn", "point_group": "mmm"}, {"symops": ["x,y,z", "-x+1/2,-y+1/2,z", "x,-y,-z+1/2", "-x+1/2,y+1/2,-z+1/2", "-x,-y,-z", "x-1/2,y-1/2,-z", "-x,y,z-1/2", "x-1/2,-y-1/2,z-1/2"], "universal_h_m": "P c n n", "number": 52, "schoenflies": "D2h^6", "hall": "-P 2ab 2c", "hermann_mauguin": "P c n n", "ncsym": ["x,y,z", "-x+1/2,-y+1/2,z", "x,-y,-z+1/2", "-x+1/2,y+1/2,-z+1/2", "-x,-y,-z", "x-1/2,y-1/2,-z", "-x,y,z-1/2", "x-1/2,-y-1/2,z-1/2"], "short_h_m": "Pcnn", "hermann_mauguin_u": "Pcnn", "point_group": "mmm"}, {"symops": ["x,y,z", "-x+1/2,-y+1/2,z", "x+1/2,-y+1/2,-z+1/2", "-x,y,-z+1/2", "-x,-y,-z", "x-1/2,y-1/2,-z", "-x-1/2,y-1/2,z-1/2", "x,-y,z-1/2"], "universal_h_m": "P n c n", "number": 52, "schoenflies": "D2h^6", "hall": "-P 2ab 2n", "hermann_mauguin": "P n c n", "ncsym": ["x,y,z", "-x+1/2,-y+1/2,z", "x+1/2,-y+1/2,-z+1/2", "-x,y,-z+1/2", "-x,-y,-z", "x-1/2,y-1/2,-z", "-x-1/2,y-1/2,z-1/2", "x,-y,z-1/2"], "short_h_m": "Pncn", "hermann_mauguin_u": "Pncn", "point_group": "mmm"}, {"symops": ["x,y,z", "-x+1/2,-y+1/2,z+1/2", "x,-y+1/2,-z+1/2", "-x+1/2,y,-z", "-x,-y,-z", "x-1/2,y-1/2,-z-1/2", "-x,y-1/2,z-1/2", "x-1/2,-y,z"], "universal_h_m": "P n a n", "number": 52, "schoenflies": "D2h^6", "hall": "-P 2n 2bc", "hermann_mauguin": "P n a n", "ncsym": ["x,y,z", "-x+1/2,-y+1/2,z+1/2", "x,-y+1/2,-z+1/2", "-x+1/2,y,-z", "-x,-y,-z", "x-1/2,y-1/2,-z-1/2", "-x,y-1/2,z-1/2", "x-1/2,-y,z"], "short_h_m": "Pnan", "hermann_mauguin_u": "Pnan", "point_group": "mmm"}, {"symops": ["x,y,z", "-x+1/2,-y,z+1/2", "x,-y,-z", "-x+1/2,y,-z+1/2", "-x,-y,-z", "x-1/2,y,-z-1/2", "-x,y,z", "x-1/2,-y,z-1/2"], "universal_h_m": "P m n a", "number": 53, "schoenflies": "D2h^7", "hall": "-P 2ac 2", "hermann_mauguin": "P m n a", "ncsym": ["x,y,z", "-x+1/2,-y,z+1/2", "x,-y,-z", "-x+1/2,y,-z+1/2", "-x,-y,-z", "x-1/2,y,-z-1/2", "-x,y,z", "x-1/2,-y,z-1/2"], "short_h_m": "Pmna", "hermann_mauguin_u": "Pmna", "point_group": "mmm"}, {"symops": ["x,y,z", "-x,-y+1/2,z+1/2", "x,-y+1/2,-z+1/2", "-x,y,-z", "-x,-y,-z", "x,y-1/2,-z-1/2", "-x,y-1/2,z-1/2", "x,-y,z"], "universal_h_m": "P n m b", "number": 53, "schoenflies": "D2h^7", "hall": "-P 2bc 2bc", "hermann_mauguin": "P n m b", "ncsym": ["x,y,z", "-x,-y+1/2,z+1/2", "x,-y+1/2,-z+1/2", "-x,y,-z", "-x,-y,-z", "x,y-1/2,-z-1/2", "-x,y-1/2,z-1/2", "x,-y,z"], "short_h_m": "Pnmb", "hermann_mauguin_u": "Pnmb", "point_group": "mmm"}, {"symops": ["x,y,z", "-x+1/2,-y+1/2,z", "x+1/2,-y+1/2,-z", "-x,y,-z", "-x,-y,-z", "x-1/2,y-1/2,-z", "-x-1/2,y-1/2,z", "x,-y,z"], "universal_h_m": "P b m n", "number": 53, "schoenflies": "D2h^7", "hall": "-P 2ab 2ab", "hermann_mauguin": "P b m n", "ncsym": ["x,y,z", "-x+1/2,-y+1/2,z", "x+1/2,-y+1/2,-z", "-x,y,-z", "-x,-y,-z", "x-1/2,y-1/2,-z", "-x-1/2,y-1/2,z", "x,-y,z"], "short_h_m": "Pbmn", "hermann_mauguin_u": "Pbmn", "point_group": "mmm"}, {"symops": ["x,y,z", "-x,-y,z", "x+1/2,-y,-z+1/2", "-x+1/2,y,-z+1/2", "-x,-y,-z", "x,y,-z", "-x-1/2,y,z-1/2", "x-1/2,-y,z-1/2"], "universal_h_m": "P c n m", "number": 53, "schoenflies": "D2h^7", "hall": "-P 2 2ac", "hermann_mauguin": "P c n m", "ncsym": ["x,y,z", "-x,-y,z", "x+1/2,-y,-z+1/2", "-x+1/2,y,-z+1/2", "-x,-y,-z", "x,y,-z", "-x-1/2,y,z-1/2", "x-1/2,-y,z-1/2"], "short_h_m": "Pcnm", "hermann_mauguin_u": "Pcnm", "point_group": "mmm"}, {"symops": ["x,y,z", "-x,-y,z", "x,-y+1/2,-z+1/2", "-x,y+1/2,-z+1/2", "-x,-y,-z", "x,y,-z", "-x,y-1/2,z-1/2", "x,-y-1/2,z-1/2"], "universal_h_m": "P n c m", "number": 53, "schoenflies": "D2h^7", "hall": "-P 2 2bc", "hermann_mauguin": "P n c m", "ncsym": ["x,y,z", "-x,-y,z", "x,-y+1/2,-z+1/2", "-x,y+1/2,-z+1/2", "-x,-y,-z", "x,y,-z", "-x,y-1/2,z-1/2", "x,-y-1/2,z-1/2"], "short_h_m": "Pncm", "hermann_mauguin_u": "Pncm", "point_group": "mmm"}, {"symops": ["x,y,z", "-x+1/2,-y+1/2,z", "x,-y,-z", "-x+1/2,y+1/2,-z", "-x,-y,-z", "x-1/2,y-1/2,-z", "-x,y,z", "x-1/2,-y-1/2,z"], "universal_h_m": "P m a n", "number": 53, "schoenflies": "D2h^7", "hall": "-P 2ab 2", "hermann_mauguin": "P m a n", "ncsym": ["x,y,z", "-x+1/2,-y+1/2,z", "x,-y,-z", "-x+1/2,y+1/2,-z", "-x,-y,-z", "x-1/2,y-1/2,-z", "-x,y,z", "x-1/2,-y-1/2,z"], "short_h_m": "Pman", "hermann_mauguin_u": "Pman", "point_group": "mmm"}, {"symops": ["x,y,z", "-x+1/2,-y,z", "x+1/2,-y,-z+1/2", "-x,y,-z+1/2", "-x,-y,-z", "x-1/2,y,-z", "-x-1/2,y,z-1/2", "x,-y,z-1/2"], "universal_h_m": "P c c a", "number": 54, "schoenflies": "D2h^8", "hall": "-P 2a 2ac", "hermann_mauguin": "P c c a", "ncsym": ["x,y,z", "-x+1/2,-y,z", "x+1/2,-y,-z+1/2", "-x,y,-z+1/2", "-x,-y,-z", "x-1/2,y,-z", "-x-1/2,y,z-1/2", "x,-y,z-1/2"], "short_h_m": "Pcca", "hermann_mauguin_u": "Pcca", "point_group": "mmm"}, {"symops": ["x,y,z", "-x,-y+1/2,z", "x,-y,-z+1/2", "-x,y+1/2,-z+1/2", "-x,-y,-z", "x,y-1/2,-z", "-x,y,z-1/2", "x,-y-1/2,z-1/2"], "universal_h_m": "P c c b", "number": 54, "schoenflies": "D2h^8", "hall": "-P 2b 2c", "hermann_mauguin": "P c c b", "ncsym": ["x,y,z", "-x,-y+1/2,z", "x,-y,-z+1/2", "-x,y+1/2,-z+1/2", "-x,-y,-z", "x,y-1/2,-z", "-x,y,z-1/2", "x,-y-1/2,z-1/2"], "short_h_m": "Pccb", "hermann_mauguin_u": "Pccb", "point_group": "mmm"}, {"symops": ["x,y,z", "-x+1/2,-y,z", "x,-y+1/2,-z", "-x+1/2,y+1/2,-z", "-x,-y,-z", "x-1/2,y,-z", "-x,y-1/2,z", "x-1/2,-y-1/2,z"], "universal_h_m": "P b a a", "number": 54, "schoenflies": "D2h^8", "hall": "-P 2a 2b", "hermann_mauguin": "P b a a", "ncsym": ["x,y,z", "-x+1/2,-y,z", "x,-y+1/2,-z", "-x+1/2,y+1/2,-z", "-x,-y,-z", "x-1/2,y,-z", "-x,y-1/2,z", "x-1/2,-y-1/2,z"], "short_h_m": "Pbaa", "hermann_mauguin_u": "Pbaa", "point_group": "mmm"}, {"symops": ["x,y,z", "-x+1/2,-y,z+1/2", "x,-y,-z+1/2", "-x+1/2,y,-z", "-x,-y,-z", "x-1/2,y,-z-1/2", "-x,y,z-1/2", "x-1/2,-y,z"], "universal_h_m": "P c a a", "number": 54, "schoenflies": "D2h^8", "hall": "-P 2ac 2c", "hermann_mauguin": "P c a a", "ncsym": ["x,y,z", "-x+1/2,-y,z+1/2", "x,-y,-z+1/2", "-x+1/2,y,-z", "-x,-y,-z", "x-1/2,y,-z-1/2", "-x,y,z-1/2", "x-1/2,-y,z"], "short_h_m": "Pcaa", "hermann_mauguin_u": "Pcaa", "point_group": "mmm"}, {"symops": ["x,y,z", "-x,-y+1/2,z+1/2", "x,-y+1/2,-z", "-x,y,-z+1/2", "-x,-y,-z", "x,y-1/2,-z-1/2", "-x,y-1/2,z", "x,-y,z-1/2"], "universal_h_m": "P b c b", "number": 54, "schoenflies": "D2h^8", "hall": "-P 2bc 2b", "hermann_mauguin": "P b c b", "ncsym": ["x,y,z", "-x,-y+1/2,z+1/2", "x,-y+1/2,-z", "-x,y,-z+1/2", "-x,-y,-z", "x,y-1/2,-z-1/2", "-x,y-1/2,z", "x,-y,z-1/2"], "short_h_m": "Pbcb", "hermann_mauguin_u": "Pbcb", "point_group": "mmm"}, {"symops": ["x,y,z", "-x,-y+1/2,z", "x+1/2,-y+1/2,-z", "-x+1/2,y,-z", "-x,-y,-z", "x,y-1/2,-z", "-x-1/2,y-1/2,z", "x-1/2,-y,z"], "universal_h_m": "P b a b", "number": 54, "schoenflies": "D2h^8", "hall": "-P 2b 2ab", "hermann_mauguin": "P b a b", "ncsym": ["x,y,z", "-x,-y+1/2,z", "x+1/2,-y+1/2,-z", "-x+1/2,y,-z", "-x,-y,-z", "x,y-1/2,-z", "-x-1/2,y-1/2,z", "x-1/2,-y,z"], "short_h_m": "Pbab", "hermann_mauguin_u": "Pbab", "point_group": "mmm"}, {"symops": ["x,y,z", "-x,-y,z", "x+1/2,-y+1/2,-z", "-x+1/2,y+1/2,-z", "-x,-y,-z", "x,y,-z", "-x-1/2,y-1/2,z", "x-1/2,-y-1/2,z"], "universal_h_m": "P b a m", "number": 55, "schoenflies": "D2h^9", "hall": "-P 2 2ab", "hermann_mauguin": "P b a m", "ncsym": ["x,y,z", "-x,-y,z", "x+1/2,-y+1/2,-z", "-x+1/2,y+1/2,-z", "-x,-y,-z", "x,y,-z", "-x-1/2,y-1/2,z", "x-1/2,-y-1/2,z"], "short_h_m": "Pbam", "hermann_mauguin_u": "Pbam", "point_group": "mmm"}, {"symops": ["x,y,z", "-x,-y+1/2,z+1/2", "x,-y,-z", "-x,y+1/2,-z+1/2", "-x,-y,-z", "x,y-1/2,-z-1/2", "-x,y,z", "x,-y-1/2,z-1/2"], "universal_h_m": "P m c b", "number": 55, "schoenflies": "D2h^9", "hall": "-P 2bc 2", "hermann_mauguin": "P m c b", "ncsym": ["x,y,z", "-x,-y+1/2,z+1/2", "x,-y,-z", "-x,y+1/2,-z+1/2", "-x,-y,-z", "x,y-1/2,-z-1/2", "-x,y,z", "x,-y-1/2,z-1/2"], "short_h_m": "Pmcb", "hermann_mauguin_u": "Pmcb", "point_group": "mmm"}, {"symops": ["x,y,z", "-x+1/2,-y,z+1/2", "x+1/2,-y,-z+1/2", "-x,y,-z", "-x,-y,-z", "x-1/2,y,-z-1/2", "-x-1/2,y,z-1/2", "x,-y,z"], "universal_h_m": "P c m a", "number": 55, "schoenflies": "D2h^9", "hall": "-P 2ac 2ac", "hermann_mauguin": "P c m a", "ncsym": ["x,y,z", "-x+1/2,-y,z+1/2", "x+1/2,-y,-z+1/2", "-x,y,-z", "-x,-y,-z", "x-1/2,y,-z-1/2", "-x-1/2,y,z-1/2", "x,-y,z"], "short_h_m": "Pcma", "hermann_mauguin_u": "Pcma", "point_group": "mmm"}, {"symops": ["x,y,z", "-x+1/2,-y+1/2,z", "x+1/2,-y,-z+1/2", "-x,y+1/2,-z+1/2", "-x,-y,-z", "x-1/2,y-1/2,-z", "-x-1/2,y,z-1/2", "x,-y-1/2,z-1/2"], "universal_h_m": "P c c n", "number": 56, "schoenflies": "D2h^10", "hall": "-P 2ab 2ac", "hermann_mauguin": "P c c n", "ncsym": ["x,y,z", "-x+1/2,-y+1/2,z", "x+1/2,-y,-z+1/2", "-x,y+1/2,-z+1/2", "-x,-y,-z", "x-1/2,y-1/2,-z", "-x-1/2,y,z-1/2", "x,-y-1/2,z-1/2"], "short_h_m": "Pccn", "hermann_mauguin_u": "Pccn", "point_group": "mmm"}, {"symops": ["x,y,z", "-x+1/2,-y,z+1/2", "x,-y+1/2,-z+1/2", "-x+1/2,y+1/2,-z", "-x,-y,-z", "x-1/2,y,-z-1/2", "-x,y-1/2,z-1/2", "x-1/2,-y-1/2,z"], "universal_h_m": "P n a a", "number": 56, "schoenflies": "D2h^10", "hall": "-P 2ac 2bc", "hermann_mauguin": "P n a a", "ncsym": ["x,y,z", "-x+1/2,-y,z+1/2", "x,-y+1/2,-z+1/2", "-x+1/2,y+1/2,-z", "-x,-y,-z", "x-1/2,y,-z-1/2", "-x,y-1/2,z-1/2", "x-1/2,-y-1/2,z"], "short_h_m": "Pnaa", "hermann_mauguin_u": "Pnaa", "point_group": "mmm"}, {"symops": ["x,y,z", "-x,-y+1/2,z+1/2", "x+1/2,-y+1/2,-z", "-x+1/2,y,-z+1/2", "-x,-y,-z", "x,y-1/2,-z-1/2", "-x-1/2,y-1/2,z", "x-1/2,-y,z-1/2"], "universal_h_m": "P b n b", "number": 56, "schoenflies": "D2h^10", "hall": "-P 2bc 2ab", "hermann_mauguin": "P b n b", "ncsym": ["x,y,z", "-x,-y+1/2,z+1/2", "x+1/2,-y+1/2,-z", "-x+1/2,y,-z+1/2", "-x,-y,-z", "x,y-1/2,-z-1/2", "-x-1/2,y-1/2,z", "x-1/2,-y,z-1/2"], "short_h_m": "Pbnb", "hermann_mauguin_u": "Pbnb", "point_group": "mmm"}, {"symops": ["x,y,z", "-x,-y,z+1/2", "x,-y+1/2,-z", "-x,y+1/2,-z+1/2", "-x,-y,-z", "x,y,-z-1/2", "-x,y-1/2,z", "x,-y-1/2,z-1/2"], "universal_h_m": "P b c m", "number": 57, "schoenflies": "D2h^11", "hall": "-P 2c 2b", "hermann_mauguin": "P b c m", "ncsym": ["x,y,z", "-x,-y,z+1/2", "x,-y+1/2,-z", "-x,y+1/2,-z+1/2", "-x,-y,-z", "x,y,-z-1/2", "-x,y-1/2,z", "x,-y-1/2,z-1/2"], "short_h_m": "Pbcm", "hermann_mauguin_u": "Pbcm", "point_group": "mmm"}, {"symops": ["x,y,z", "-x,-y,z+1/2", "x+1/2,-y,-z+1/2", "-x+1/2,y,-z", "-x,-y,-z", "x,y,-z-1/2", "-x-1/2,y,z-1/2", "x-1/2,-y,z"], "universal_h_m": "P c a m", "number": 57, "schoenflies": "D2h^11", "hall": "-P 2c 2ac", "hermann_mauguin": "P c a m", "ncsym": ["x,y,z", "-x,-y,z+1/2", "x+1/2,-y,-z+1/2", "-x+1/2,y,-z", "-x,-y,-z", "x,y,-z-1/2", "-x-1/2,y,z-1/2", "x-1/2,-y,z"], "short_h_m": "Pcam", "hermann_mauguin_u": "Pcam", "point_group": "mmm"}, {"symops": ["x,y,z", "-x+1/2,-y,z+1/2", "x+1/2,-y,-z", "-x,y,-z+1/2", "-x,-y,-z", "x-1/2,y,-z-1/2", "-x-1/2,y,z", "x,-y,z-1/2"], "universal_h_m": "P m c a", "number": 57, "schoenflies": "D2h^11", "hall": "-P 2ac 2a", "hermann_mauguin": "P m c a", "ncsym": ["x,y,z", "-x+1/2,-y,z+1/2", "x+1/2,-y,-z", "-x,y,-z+1/2", "-x,-y,-z", "x-1/2,y,-z-1/2", "-x-1/2,y,z", "x,-y,z-1/2"], "short_h_m": "Pmca", "hermann_mauguin_u": "Pmca", "point_group": "mmm"}, {"symops": ["x,y,z", "-x,-y+1/2,z", "x+1/2,-y,-z", "-x+1/2,y+1/2,-z", "-x,-y,-z", "x,y-1/2,-z", "-x-1/2,y,z", "x-1/2,-y-1/2,z"], "universal_h_m": "P m a b", "number": 57, "schoenflies": "D2h^11", "hall": "-P 2b 2a", "hermann_mauguin": "P m a b", "ncsym": ["x,y,z", "-x,-y+1/2,z", "x+1/2,-y,-z", "-x+1/2,y+1/2,-z", "-x,-y,-z", "x,y-1/2,-z", "-x-1/2,y,z", "x-1/2,-y-1/2,z"], "short_h_m": "Pmab", "hermann_mauguin_u": "Pmab", "point_group": "mmm"}, {"symops": ["x,y,z", "-x+1/2,-y,z", "x+1/2,-y+1/2,-z", "-x,y+1/2,-z", "-x,-y,-z", "x-1/2,y,-z", "-x-1/2,y-1/2,z", "x,-y-1/2,z"], "universal_h_m": "P b m a", "number": 57, "schoenflies": "D2h^11", "hall": "-P 2a 2ab", "hermann_mauguin": "P b m a", "ncsym": ["x,y,z", "-x+1/2,-y,z", "x+1/2,-y+1/2,-z", "-x,y+1/2,-z", "-x,-y,-z", "x-1/2,y,-z", "-x-1/2,y-1/2,z", "x,-y-1/2,z"], "short_h_m": "Pbma", "hermann_mauguin_u": "Pbma", "point_group": "mmm"}, {"symops": ["x,y,z", "-x,-y+1/2,z+1/2", "x,-y,-z+1/2", "-x,y+1/2,-z", "-x,-y,-z", "x,y-1/2,-z-1/2", "-x,y,z-1/2", "x,-y-1/2,z"], "universal_h_m": "P c m b", "number": 57, "schoenflies": "D2h^11", "hall": "-P 2bc 2c", "hermann_mauguin": "P c m b", "ncsym": ["x,y,z", "-x,-y+1/2,z+1/2", "x,-y,-z+1/2", "-x,y+1/2,-z", "-x,-y,-z", "x,y-1/2,-z-1/2", "-x,y,z-1/2", "x,-y-1/2,z"], "short_h_m": "Pcmb", "hermann_mauguin_u": "Pcmb", "point_group": "mmm"}, {"symops": ["x,y,z", "-x,-y,z", "x+1/2,-y+1/2,-z+1/2", "-x+1/2,y+1/2,-z+1/2", "-x,-y,-z", "x,y,-z", "-x-1/2,y-1/2,z-1/2", "x-1/2,-y-1/2,z-1/2"], "universal_h_m": "P n n m", "number": 58, "schoenflies": "D2h^12", "hall": "-P 2 2n", "hermann_mauguin": "P n n m", "ncsym": ["x,y,z", "-x,-y,z", "x+1/2,-y+1/2,-z+1/2", "-x+1/2,y+1/2,-z+1/2", "-x,-y,-z", "x,y,-z", "-x-1/2,y-1/2,z-1/2", "x-1/2,-y-1/2,z-1/2"], "short_h_m": "Pnnm", "hermann_mauguin_u": "Pnnm", "point_group": "mmm"}, {"symops": ["x,y,z", "-x+1/2,-y+1/2,z+1/2", "x,-y,-z", "-x+1/2,y+1/2,-z+1/2", "-x,-y,-z", "x-1/2,y-1/2,-z-1/2", "-x,y,z", "x-1/2,-y-1/2,z-1/2"], "universal_h_m": "P m n n", "number": 58, "schoenflies": "D2h^12", "hall": "-P 2n 2", "hermann_mauguin": "P m n n", "ncsym": ["x,y,z", "-x+1/2,-y+1/2,z+1/2", "x,-y,-z", "-x+1/2,y+1/2,-z+1/2", "-x,-y,-z", "x-1/2,y-1/2,-z-1/2", "-x,y,z", "x-1/2,-y-1/2,z-1/2"], "short_h_m": "Pmnn", "hermann_mauguin_u": "Pmnn", "point_group": "mmm"}, {"symops": ["x,y,z", "-x+1/2,-y+1/2,z+1/2", "x+1/2,-y+1/2,-z+1/2", "-x,y,-z", "-x,-y,-z", "x-1/2,y-1/2,-z-1/2", "-x-1/2,y-1/2,z-1/2", "x,-y,z"], "universal_h_m": "P n m n", "number": 58, "schoenflies": "D2h^12", "hall": "-P 2n 2n", "hermann_mauguin": "P n m n", "ncsym": ["x,y,z", "-x+1/2,-y+1/2,z+1/2", "x+1/2,-y+1/2,-z+1/2", "-x,y,-z", "-x,-y,-z", "x-1/2,y-1/2,-z-1/2", "-x-1/2,y-1/2,z-1/2", "x,-y,z"], "short_h_m": "Pnmn", "hermann_mauguin_u": "Pnmn", "point_group": "mmm"}, {"symops": ["x,y,z", "-x,-y,z", "x+1/2,-y+1/2,-z", "-x+1/2,y+1/2,-z", "-x+1/2,-y+1/2,-z", "x+1/2,y+1/2,-z", "-x,y,z", "x,-y,z"], "universal_h_m": "P m m n :1", "number": 59, "schoenflies": "D2h^13", "hall": " P 2 2ab -1ab", "hermann_mauguin": "P m m n", "ncsym": ["x,y,z", "-x,-y,z", "x+1/2,-y+1/2,-z", "-x+1/2,y+1/2,-z", "-x+1/2,-y+1/2,-z", "x+1/2,y+1/2,-z", "-x,y,z", "x,-y,z"], "short_h_m": "Pmmn", "hermann_mauguin_u": "Pmmn", "point_group": "mmm"}, {"symops": ["x,y,z", "-x+1/2,-y+1/2,z", "x+1/2,-y,-z", "-x,y+1/2,-z", "-x,-y,-z", "x-1/2,y-1/2,-z", "-x-1/2,y,z", "x,-y-1/2,z"], "universal_h_m": "P m m n :2", "number": 59, "schoenflies": "D2h^13", "hall": "-P 2ab 2a", "hermann_mauguin": "P m m n", "ncsym": ["x,y,z", "-x+1/2,-y+1/2,z", "x+1/2,-y,-z", "-x,y+1/2,-z", "-x,-y,-z", "x-1/2,y-1/2,-z", "-x-1/2,y,z", "x,-y-1/2,z"], "short_h_m": "Pmmn", "hermann_mauguin_u": "Pmmn", "point_group": "mmm"}, {"symops": ["x,y,z", "-x,-y+1/2,z+1/2", "x,-y,-z", "-x,y+1/2,-z+1/2", "-x,-y+1/2,-z+1/2", "x,y,-z", "-x,y+1/2,z+1/2", "x,-y,z"], "universal_h_m": "P n m m :1", "number": 59, "schoenflies": "D2h^13", "hall": " P 2bc 2 -1bc", "hermann_mauguin": "P n m m", "ncsym": ["x,y,z", "-x,-y+1/2,z+1/2", "x,-y,-z", "-x,y+1/2,-z+1/2", "-x,-y+1/2,-z+1/2", "x,y,-z", "-x,y+1/2,z+1/2", "x,-y,z"], "short_h_m": "Pnmm", "hermann_mauguin_u": "Pnmm", "point_group": "mmm"}, {"symops": ["x,y,z", "-x,-y,z+1/2", "x,-y+1/2,-z+1/2", "-x,y+1/2,-z", "-x,-y,-z", "x,y,-z-1/2", "-x,y-1/2,z-1/2", "x,-y-1/2,z"], "universal_h_m": "P n m m :2", "number": 59, "schoenflies": "D2h^13", "hall": "-P 2c 2bc", "hermann_mauguin": "P n m m", "ncsym": ["x,y,z", "-x,-y,z+1/2", "x,-y+1/2,-z+1/2", "-x,y+1/2,-z", "-x,-y,-z", "x,y,-z-1/2", "-x,y-1/2,z-1/2", "x,-y-1/2,z"], "short_h_m": "Pnmm", "hermann_mauguin_u": "Pnmm", "point_group": "mmm"}, {"symops": ["x,y,z", "-x+1/2,-y,z+1/2", "x+1/2,-y,-z+1/2", "-x,y,-z", "-x+1/2,-y,-z+1/2", "x,y,-z", "-x,y,z", "x+1/2,-y,z+1/2"], "universal_h_m": "P m n m :1", "number": 59, "schoenflies": "D2h^13", "hall": " P 2ac 2ac -1ac", "hermann_mauguin": "P m n m", "ncsym": ["x,y,z", "-x+1/2,-y,z+1/2", "x+1/2,-y,-z+1/2", "-x,y,-z", "-x+1/2,-y,-z+1/2", "x,y,-z", "-x,y,z", "x+1/2,-y,z+1/2"], "short_h_m": "Pmnm", "hermann_mauguin_u": "Pmnm", "point_group": "mmm"}, {"symops": ["x,y,z", "-x,-y,z+1/2", "x+1/2,-y,-z", "-x+1/2,y,-z+1/2", "-x,-y,-z", "x,y,-z-1/2", "-x-1/2,y,z", "x-1/2,-y,z-1/2"], "universal_h_m": "P m n m :2", "number": 59, "schoenflies": "D2h^13", "hall": "-P 2c 2a", "hermann_mauguin": "P m n m", "ncsym": ["x,y,z", "-x,-y,z+1/2", "x+1/2,-y,-z", "-x+1/2,y,-z+1/2", "-x,-y,-z", "x,y,-z-1/2", "-x-1/2,y,z", "x-1/2,-y,z-1/2"], "short_h_m": "Pmnm", "hermann_mauguin_u": "Pmnm", "point_group": "mmm"}, {"symops": ["x,y,z", "-x+1/2,-y+1/2,z+1/2", "x+1/2,-y+1/2,-z", "-x,y,-z+1/2", "-x,-y,-z", "x-1/2,y-1/2,-z-1/2", "-x-1/2,y-1/2,z", "x,-y,z-1/2"], "universal_h_m": "P b c n", "number": 60, "schoenflies": "D2h^14", "hall": "-P 2n 2ab", "hermann_mauguin": "P b c n", "ncsym": ["x,y,z", "-x+1/2,-y+1/2,z+1/2", "x+1/2,-y+1/2,-z", "-x,y,-z+1/2", "-x,-y,-z", "x-1/2,y-1/2,-z-1/2", "-x-1/2,y-1/2,z", "x,-y,z-1/2"], "short_h_m": "Pbcn", "hermann_mauguin_u": "Pbcn", "point_group": "mmm"}, {"symops": ["x,y,z", "-x+1/2,-y+1/2,z+1/2", "x,-y,-z+1/2", "-x+1/2,y+1/2,-z", "-x,-y,-z", "x-1/2,y-1/2,-z-1/2", "-x,y,z-1/2", "x-1/2,-y-1/2,z"], "universal_h_m": "P c a n", "number": 60, "schoenflies": "D2h^14", "hall": "-P 2n 2c", "hermann_mauguin": "P c a n", "ncsym": ["x,y,z", "-x+1/2,-y+1/2,z+1/2", "x,-y,-z+1/2", "-x+1/2,y+1/2,-z", "-x,-y,-z", "x-1/2,y-1/2,-z-1/2", "-x,y,z-1/2", "x-1/2,-y-1/2,z"], "short_h_m": "Pcan", "hermann_mauguin_u": "Pcan", "point_group": "mmm"}, {"symops": ["x,y,z", "-x+1/2,-y,z", "x+1/2,-y+1/2,-z+1/2", "-x,y+1/2,-z+1/2", "-x,-y,-z", "x-1/2,y,-z", "-x-1/2,y-1/2,z-1/2", "x,-y-1/2,z-1/2"], "universal_h_m": "P n c a", "number": 60, "schoenflies": "D2h^14", "hall": "-P 2a 2n", "hermann_mauguin": "P n c a", "ncsym": ["x,y,z", "-x+1/2,-y,z", "x+1/2,-y+1/2,-z+1/2", "-x,y+1/2,-z+1/2", "-x,-y,-z", "x-1/2,y,-z", "-x-1/2,y-1/2,z-1/2", "x,-y-1/2,z-1/2"], "short_h_m": "Pnca", "hermann_mauguin_u": "Pnca", "point_group": "mmm"}, {"symops": ["x,y,z", "-x,-y+1/2,z+1/2", "x+1/2,-y+1/2,-z+1/2", "-x+1/2,y,-z", "-x,-y,-z", "x,y-1/2,-z-1/2", "-x-1/2,y-1/2,z-1/2", "x-1/2,-y,z"], "universal_h_m": "P n a b", "number": 60, "schoenflies": "D2h^14", "hall": "-P 2bc 2n", "hermann_mauguin": "P n a b", "ncsym": ["x,y,z", "-x,-y+1/2,z+1/2", "x+1/2,-y+1/2,-z+1/2", "-x+1/2,y,-z", "-x,-y,-z", "x,y-1/2,-z-1/2", "-x-1/2,y-1/2,z-1/2", "x-1/2,-y,z"], "short_h_m": "Pnab", "hermann_mauguin_u": "Pnab", "point_group": "mmm"}, {"symops": ["x,y,z", "-x+1/2,-y,z+1/2", "x,-y+1/2,-z", "-x+1/2,y+1/2,-z+1/2", "-x,-y,-z", "x-1/2,y,-z-1/2", "-x,y-1/2,z", "x-1/2,-y-1/2,z-1/2"], "universal_h_m": "P b n a", "number": 60, "schoenflies": "D2h^14", "hall": "-P 2ac 2b", "hermann_mauguin": "P b n a", "ncsym": ["x,y,z", "-x+1/2,-y,z+1/2", "x,-y+1/2,-z", "-x+1/2,y+1/2,-z+1/2", "-x,-y,-z", "x-1/2,y,-z-1/2", "-x,y-1/2,z", "x-1/2,-y-1/2,z-1/2"], "short_h_m": "Pbna", "hermann_mauguin_u": "Pbna", "point_group": "mmm"}, {"symops": ["x,y,z", "-x,-y+1/2,z", "x+1/2,-y,-z+1/2", "-x+1/2,y+1/2,-z+1/2", "-x,-y,-z", "x,y-1/2,-z", "-x-1/2,y,z-1/2", "x-1/2,-y-1/2,z-1/2"], "universal_h_m": "P c n b", "number": 60, "schoenflies": "D2h^14", "hall": "-P 2b 2ac", "hermann_mauguin": "P c n b", "ncsym": ["x,y,z", "-x,-y+1/2,z", "x+1/2,-y,-z+1/2", "-x+1/2,y+1/2,-z+1/2", "-x,-y,-z", "x,y-1/2,-z", "-x-1/2,y,z-1/2", "x-1/2,-y-1/2,z-1/2"], "short_h_m": "Pcnb", "hermann_mauguin_u": "Pcnb", "point_group": "mmm"}, {"symops": ["x,y,z", "-x+1/2,-y,z+1/2", "x+1/2,-y+1/2,-z", "-x,y+1/2,-z+1/2", "-x,-y,-z", "x-1/2,y,-z-1/2", "-x-1/2,y-1/2,z", "x,-y-1/2,z-1/2"], "universal_h_m": "P b c a", "number": 61, "schoenflies": "D2h^15", "hall": "-P 2ac 2ab", "hermann_mauguin": "P b c a", "ncsym": ["x,y,z", "-x+1/2,-y,z+1/2", "x+1/2,-y+1/2,-z", "-x,y+1/2,-z+1/2", "-x,-y,-z", "x-1/2,y,-z-1/2", "-x-1/2,y-1/2,z", "x,-y-1/2,z-1/2"], "short_h_m": "Pbca", "hermann_mauguin_u": "Pbca", "point_group": "mmm"}, {"symops": ["x,y,z", "-x,-y+1/2,z+1/2", "x+1/2,-y,-z+1/2", "-x+1/2,y+1/2,-z", "-x,-y,-z", "x,y-1/2,-z-1/2", "-x-1/2,y,z-1/2", "x-1/2,-y-1/2,z"], "universal_h_m": "P c a b", "number": 61, "schoenflies": "D2h^15", "hall": "-P 2bc 2ac", "hermann_mauguin": "P c a b", "ncsym": ["x,y,z", "-x,-y+1/2,z+1/2", "x+1/2,-y,-z+1/2", "-x+1/2,y+1/2,-z", "-x,-y,-z", "x,y-1/2,-z-1/2", "-x-1/2,y,z-1/2", "x-1/2,-y-1/2,z"], "short_h_m": "Pcab", "hermann_mauguin_u": "Pcab", "point_group": "mmm"}, {"symops": ["x,y,z", "-x+1/2,-y,z+1/2", "x+1/2,-y+1/2,-z+1/2", "-x,y+1/2,-z", "-x,-y,-z", "x-1/2,y,-z-1/2", "-x-1/2,y-1/2,z-1/2", "x,-y-1/2,z"], "universal_h_m": "P n m a", "number": 62, "schoenflies": "D2h^16", "hall": "-P 2ac 2n", "hermann_mauguin": "P n m a", "ncsym": ["x,y,z", "-x+1/2,-y,z+1/2", "x+1/2,-y+1/2,-z+1/2", "-x,y+1/2,-z", "-x,-y,-z", "x-1/2,y,-z-1/2", "-x-1/2,y-1/2,z-1/2", "x,-y-1/2,z"], "short_h_m": "Pnma", "hermann_mauguin_u": "Pnma", "point_group": "mmm"}, {"symops": ["x,y,z", "-x,-y+1/2,z+1/2", "x+1/2,-y,-z", "-x+1/2,y+1/2,-z+1/2", "-x,-y,-z", "x,y-1/2,-z-1/2", "-x-1/2,y,z", "x-1/2,-y-1/2,z-1/2"], "universal_h_m": "P m n b", "number": 62, "schoenflies": "D2h^16", "hall": "-P 2bc 2a", "hermann_mauguin": "P m n b", "ncsym": ["x,y,z", "-x,-y+1/2,z+1/2", "x+1/2,-y,-z", "-x+1/2,y+1/2,-z+1/2", "-x,-y,-z", "x,y-1/2,-z-1/2", "-x-1/2,y,z", "x-1/2,-y-1/2,z-1/2"], "short_h_m": "Pmnb", "hermann_mauguin_u": "Pmnb", "point_group": "mmm"}, {"symops": ["x,y,z", "-x,-y,z+1/2", "x+1/2,-y+1/2,-z", "-x+1/2,y+1/2,-z+1/2", "-x,-y,-z", "x,y,-z-1/2", "-x-1/2,y-1/2,z", "x-1/2,-y-1/2,z-1/2"], "universal_h_m": "P b n m", "number": 62, "schoenflies": "D2h^16", "hall": "-P 2c 2ab", "hermann_mauguin": "P b n m", "ncsym": ["x,y,z", "-x,-y,z+1/2", "x+1/2,-y+1/2,-z", "-x+1/2,y+1/2,-z+1/2", "-x,-y,-z", "x,y,-z-1/2", "-x-1/2,y-1/2,z", "x-1/2,-y-1/2,z-1/2"], "short_h_m": "Pbnm", "hermann_mauguin_u": "Pbnm", "point_group": "mmm"}, {"symops": ["x,y,z", "-x+1/2,-y+1/2,z+1/2", "x+1/2,-y,-z+1/2", "-x,y+1/2,-z", "-x,-y,-z", "x-1/2,y-1/2,-z-1/2", "-x-1/2,y,z-1/2", "x,-y-1/2,z"], "universal_h_m": "P c m n", "number": 62, "schoenflies": "D2h^16", "hall": "-P 2n 2ac", "hermann_mauguin": "P c m n", "ncsym": ["x,y,z", "-x+1/2,-y+1/2,z+1/2", "x+1/2,-y,-z+1/2", "-x,y+1/2,-z", "-x,-y,-z", "x-1/2,y-1/2,-z-1/2", "-x-1/2,y,z-1/2", "x,-y-1/2,z"], "short_h_m": "Pcmn", "hermann_mauguin_u": "Pcmn", "point_group": "mmm"}, {"symops": ["x,y,z", "-x+1/2,-y+1/2,z+1/2", "x+1/2,-y,-z", "-x,y+1/2,-z+1/2", "-x,-y,-z", "x-1/2,y-1/2,-z-1/2", "-x-1/2,y,z", "x,-y-1/2,z-1/2"], "universal_h_m": "P m c n", "number": 62, "schoenflies": "D2h^16", "hall": "-P 2n 2a", "hermann_mauguin": "P m c n", "ncsym": ["x,y,z", "-x+1/2,-y+1/2,z+1/2", "x+1/2,-y,-z", "-x,y+1/2,-z+1/2", "-x,-y,-z", "x-1/2,y-1/2,-z-1/2", "-x-1/2,y,z", "x,-y-1/2,z-1/2"], "short_h_m": "Pmcn", "hermann_mauguin_u": "Pmcn", "point_group": "mmm"}, {"symops": ["x,y,z", "-x,-y,z+1/2", "x+1/2,-y+1/2,-z+1/2", "-x+1/2,y+1/2,-z", "-x,-y,-z", "x,y,-z-1/2", "-x-1/2,y-1/2,z-1/2", "x-1/2,-y-1/2,z"], "universal_h_m": "P n a m", "number": 62, "schoenflies": "D2h^16", "hall": "-P 2c 2n", "hermann_mauguin": "P n a m", "ncsym": ["x,y,z", "-x,-y,z+1/2", "x+1/2,-y+1/2,-z+1/2", "-x+1/2,y+1/2,-z", "-x,-y,-z", "x,y,-z-1/2", "-x-1/2,y-1/2,z-1/2", "x-1/2,-y-1/2,z"], "short_h_m": "Pnam", "hermann_mauguin_u": "Pnam", "point_group": "mmm"}, {"symops": ["x,y,z", "-x,-y,z+1/2", "x,-y,-z", "-x,y,-z+1/2", "-x,-y,-z", "x,y,-z-1/2", "-x,y,z", "x,-y,z-1/2", "x+1/2,y+1/2,z", "-x+1/2,-y+1/2,z+1/2", "x+1/2,-y+1/2,-z", "-x+1/2,y+1/2,-z+1/2", "-x+1/2,-y+1/2,-z", "x+1/2,y+1/2,-z-1/2", "-x+1/2,y+1/2,z", "x+1/2,-y+1/2,z-1/2"], "universal_h_m": "C m c m", "number": 63, "schoenflies": "D2h^17", "hall": "-C 2c 2", "hermann_mauguin": "C m c m", "ncsym": ["x,y,z", "-x,-y,z+1/2", "x,-y,-z", "-x,y,-z+1/2", "-x,-y,-z", "x,y,-z-1/2", "-x,y,z", "x,-y,z-1/2"], "short_h_m": "Cmcm", "hermann_mauguin_u": "Cmcm", "point_group": "mmm"}, {"symops": ["x,y,z", "-x,-y,z+1/2", "x,-y,-z+1/2", "-x,y,-z", "-x,-y,-z", "x,y,-z-1/2", "-x,y,z-1/2", "x,-y,z", "x+1/2,y+1/2,z", "-x+1/2,-y+1/2,z+1/2", "x+1/2,-y+1/2,-z+1/2", "-x+1/2,y+1/2,-z", "-x+1/2,-y+1/2,-z", "x+1/2,y+1/2,-z-1/2", "-x+1/2,y+1/2,z-1/2", "x+1/2,-y+1/2,z"], "universal_h_m": "C c m m", "number": 63, "schoenflies": "D2h^17", "hall": "-C 2c 2c", "hermann_mauguin": "C c m m", "ncsym": ["x,y,z", "-x,-y,z+1/2", "x,-y,-z+1/2", "-x,y,-z", "-x,-y,-z", "x,y,-z-1/2", "-x,y,z-1/2", "x,-y,z"], "short_h_m": "Ccmm", "hermann_mauguin_u": "Ccmm", "point_group": "mmm"}, {"symops": ["x,y,z", "-x+1/2,-y,z", "x+1/2,-y,-z", "-x,y,-z", "-x,-y,-z", "x-1/2,y,-z", "-x-1/2,y,z", "x,-y,z", "x,y+1/2,z+1/2", "-x+1/2,-y+1/2,z+1/2", "x+1/2,-y+1/2,-z+1/2", "-x,y+1/2,-z+1/2", "-x,-y+1/2,-z+1/2", "x-1/2,y+1/2,-z+1/2", "-x-1/2,y+1/2,z+1/2", "x,-y+1/2,z+1/2"], "universal_h_m": "A m m a", "number": 63, "schoenflies": "D2h^17", "hall": "-A 2a 2a", "hermann_mauguin": "A m m a", "ncsym": ["x,y,z", "-x+1/2,-y,z", "x+1/2,-y,-z", "-x,y,-z", "-x,-y,-z", "x-1/2,y,-z", "-x-1/2,y,z", "x,-y,z"], "short_h_m": "Amma", "hermann_mauguin_u": "Amma", "point_group": "mmm"}, {"symops": ["x,y,z", "-x,-y,z", "x+1/2,-y,-z", "-x+1/2,y,-z", "-x,-y,-z", "x,y,-z", "-x-1/2,y,z", "x-1/2,-y,z", "x,y+1/2,z+1/2", "-x,-y+1/2,z+1/2", "x+1/2,-y+1/2,-z+1/2", "-x+1/2,y+1/2,-z+1/2", "-x,-y+1/2,-z+1/2", "x,y+1/2,-z+1/2", "-x-1/2,y+1/2,z+1/2", "x-1/2,-y+1/2,z+1/2"], "universal_h_m": "A m a m", "number": 63, "schoenflies": "D2h^17", "hall": "-A 2 2a", "hermann_mauguin": "A m a m", "ncsym": ["x,y,z", "-x,-y,z", "x+1/2,-y,-z", "-x+1/2,y,-z", "-x,-y,-z", "x,y,-z", "-x-1/2,y,z", "x-1/2,-y,z"], "short_h_m": "Amam", "hermann_mauguin_u": "Amam", "point_group": "mmm"}, {"symops": ["x,y,z", "-x,-y,z", "x,-y+1/2,-z", "-x,y+1/2,-z", "-x,-y,-z", "x,y,-z", "-x,y-1/2,z", "x,-y-1/2,z", "x+1/2,y,z+1/2", "-x+1/2,-y,z+1/2", "x+1/2,-y+1/2,-z+1/2", "-x+1/2,y+1/2,-z+1/2", "-x+1/2,-y,-z+1/2", "x+1/2,y,-z+1/2", "-x+1/2,y-1/2,z+1/2", "x+1/2,-y-1/2,z+1/2"], "universal_h_m": "B b m m", "number": 63, "schoenflies": "D2h^17", "hall": "-B 2 2b", "hermann_mauguin": "B b m m", "ncsym": ["x,y,z", "-x,-y,z", "x,-y+1/2,-z", "-x,y+1/2,-z", "-x,-y,-z", "x,y,-z", "-x,y-1/2,z", "x,-y-1/2,z"], "short_h_m": "Bbmm", "hermann_mauguin_u": "Bbmm", "point_group": "mmm"}, {"symops": ["x,y,z", "-x,-y+1/2,z", "x,-y,-z", "-x,y+1/2,-z", "-x,-y,-z", "x,y-1/2,-z", "-x,y,z", "x,-y-1/2,z", "x+1/2,y,z+1/2", "-x+1/2,-y+1/2,z+1/2", "x+1/2,-y,-z+1/2", "-x+1/2,y+1/2,-z+1/2", "-x+1/2,-y,-z+1/2", "x+1/2,y-1/2,-z+1/2", "-x+1/2,y,z+1/2", "x+1/2,-y-1/2,z+1/2"], "universal_h_m": "B m m b", "number": 63, "schoenflies": "D2h^17", "hall": "-B 2b 2", "hermann_mauguin": "B m m b", "ncsym": ["x,y,z", "-x,-y+1/2,z", "x,-y,-z", "-x,y+1/2,-z", "-x,-y,-z", "x,y-1/2,-z", "-x,y,z", "x,-y-1/2,z"], "short_h_m": "Bmmb", "hermann_mauguin_u": "Bmmb", "point_group": "mmm"}, {"symops": ["x,y,z", "-x+1/2,-y,z+1/2", "x,-y,-z", "-x+1/2,y,-z+1/2", "-x,-y,-z", "x-1/2,y,-z-1/2", "-x,y,z", "x-1/2,-y,z-1/2", "x+1/2,y+1/2,z", "-x+1,-y+1/2,z+1/2", "x+1/2,-y+1/2,-z", "-x+1,y+1/2,-z+1/2", "-x+1/2,-y+1/2,-z", "x,y+1/2,-z-1/2", "-x+1/2,y+1/2,z", "x,-y+1/2,z-1/2"], "universal_h_m": "C m c e", "number": 64, "schoenflies": "D2h^18", "hall": "-C 2ac 2", "hermann_mauguin": "C m c e", "ncsym": ["x,y,z", "-x+1/2,-y,z+1/2", "x,-y,-z", "-x+1/2,y,-z+1/2", "-x,-y,-z", "x-1/2,y,-z-1/2", "-x,y,z", "x-1/2,-y,z-1/2"], "short_h_m": "Cmce", "hermann_mauguin_u": "Cmce", "point_group": "mmm"}, {"symops": ["x,y,z", "-x+1/2,-y,z+1/2", "x+1/2,-y,-z+1/2", "-x,y,-z", "-x,-y,-z", "x-1/2,y,-z-1/2", "-x-1/2,y,z-1/2", "x,-y,z", "x+1/2,y+1/2,z", "-x+1,-y+1/2,z+1/2", "x+1,-y+1/2,-z+1/2", "-x+1/2,y+1/2,-z", "-x+1/2,-y+1/2,-z", "x,y+1/2,-z-1/2", "-x,y+1/2,z-1/2", "x+1/2,-y+1/2,z"], "universal_h_m": "C c m e", "number": 64, "schoenflies": "D2h^18", "hall": "-C 2ac 2ac", "hermann_mauguin": "C c m e", "ncsym": ["x,y,z", "-x+1/2,-y,z+1/2", "x+1/2,-y,-z+1/2", "-x,y,-z", "-x,-y,-z", "x-1/2,y,-z-1/2", "-x-1/2,y,z-1/2", "x,-y,z"], "short_h_m": "Ccme", "hermann_mauguin_u": "Ccme", "point_group": "mmm"}, {"symops": ["x,y,z", "-x+1/2,-y+1/2,z", "x+1/2,-y+1/2,-z", "-x,y,-z", "-x,-y,-z", "x-1/2,y-1/2,-z", "-x-1/2,y-1/2,z", "x,-y,z", "x,y+1/2,z+1/2", "-x+1/2,-y+1,z+1/2", "x+1/2,-y+1,-z+1/2", "-x,y+1/2,-z+1/2", "-x,-y+1/2,-z+1/2", "x-1/2,y,-z+1/2", "-x-1/2,y,z+1/2", "x,-y+1/2,z+1/2"], "universal_h_m": "A e m a", "number": 64, "schoenflies": "D2h^18", "hall": "-A 2ab 2ab", "hermann_mauguin": "A e m a", "ncsym": ["x,y,z", "-x+1/2,-y+1/2,z", "x+1/2,-y+1/2,-z", "-x,y,-z", "-x,-y,-z", "x-1/2,y-1/2,-z", "-x-1/2,y-1/2,z", "x,-y,z"], "short_h_m": "Aema", "hermann_mauguin_u": "Aema", "point_group": "mmm"}, {"symops": ["x,y,z", "-x,-y,z", "x+1/2,-y+1/2,-z", "-x+1/2,y+1/2,-z", "-x,-y,-z", "x,y,-z", "-x-1/2,y-1/2,z", "x-1/2,-y-1/2,z", "x,y+1/2,z+1/2", "-x,-y+1/2,z+1/2", "x+1/2,-y+1,-z+1/2", "-x+1/2,y+1,-z+1/2", "-x,-y+1/2,-z+1/2", "x,y+1/2,-z+1/2", "-x-1/2,y,z+1/2", "x-1/2,-y,z+1/2"], "universal_h_m": "A e a m", "number": 64, "schoenflies": "D2h^18", "hall": "-A 2 2ab", "hermann_mauguin": "A e a m", "ncsym": ["x,y,z", "-x,-y,z", "x+1/2,-y+1/2,-z", "-x+1/2,y+1/2,-z", "-x,-y,-z", "x,y,-z", "-x-1/2,y-1/2,z", "x-1/2,-y-1/2,z"], "short_h_m": "Aeam", "hermann_mauguin_u": "Aeam", "point_group": "mmm"}, {"symops": ["x,y,z", "-x,-y,z", "x+1/2,-y+1/2,-z", "-x+1/2,y+1/2,-z", "-x,-y,-z", "x,y,-z", "-x-1/2,y-1/2,z", "x-1/2,-y-1/2,z", "x+1/2,y,z+1/2", "-x+1/2,-y,z+1/2", "x+1,-y+1/2,-z+1/2", "-x+1,y+1/2,-z+1/2", "-x+1/2,-y,-z+1/2", "x+1/2,y,-z+1/2", "-x,y-1/2,z+1/2", "x,-y-1/2,z+1/2"], "universal_h_m": "B b e m", "number": 64, "schoenflies": "D2h^18", "hall": "-B 2 2ab", "hermann_mauguin": "B b e m", "ncsym": ["x,y,z", "-x,-y,z", "x+1/2,-y+1/2,-z", "-x+1/2,y+1/2,-z", "-x,-y,-z", "x,y,-z", "-x-1/2,y-1/2,z", "x-1/2,-y-1/2,z"], "short_h_m": "Bbem", "hermann_mauguin_u": "Bbem", "point_group": "mmm"}, {"symops": ["x,y,z", "-x+1/2,-y+1/2,z", "x,-y,-z", "-x+1/2,y+1/2,-z", "-x,-y,-z", "x-1/2,y-1/2,-z", "-x,y,z", "x-1/2,-y-1/2,z", "x+1/2,y,z+1/2", "-x+1,-y+1/2,z+1/2", "x+1/2,-y,-z+1/2", "-x+1,y+1/2,-z+1/2", "-x+1/2,-y,-z+1/2", "x,y-1/2,-z+1/2", "-x+1/2,y,z+1/2", "x,-y-1/2,z+1/2"], "universal_h_m": "B m e b", "number": 64, "schoenflies": "D2h^18", "hall": "-B 2ab 2", "hermann_mauguin": "B m e b", "ncsym": ["x,y,z", "-x+1/2,-y+1/2,z", "x,-y,-z", "-x+1/2,y+1/2,-z", "-x,-y,-z", "x-1/2,y-1/2,-z", "-x,y,z", "x-1/2,-y-1/2,z"], "short_h_m": "Bmeb", "hermann_mauguin_u": "Bmeb", "point_group": "mmm"}, {"symops": ["x,y,z", "-x,-y,z", "x,-y,-z", "-x,y,-z", "-x,-y,-z", "x,y,-z", "-x,y,z", "x,-y,z", "x+1/2,y+1/2,z", "-x+1/2,-y+1/2,z", "x+1/2,-y+1/2,-z", "-x+1/2,y+1/2,-z", "-x+1/2,-y+1/2,-z", "x+1/2,y+1/2,-z", "-x+1/2,y+1/2,z", "x+1/2,-y+1/2,z"], "universal_h_m": "C m m m", "number": 65, "schoenflies": "D2h^19", "hall": "-C 2 2", "hermann_mauguin": "C m m m", "ncsym": ["x,y,z", "-x,-y,z", "x,-y,-z", "-x,y,-z", "-x,-y,-z", "x,y,-z", "-x,y,z", "x,-y,z"], "short_h_m": "Cmmm", "hermann_mauguin_u": "Cmmm", "point_group": "mmm"}, {"symops": ["x,y,z", "-x,-y,z", "x,-y,-z", "-x,y,-z", "-x,-y,-z", "x,y,-z", "-x,y,z", "x,-y,z", "x,y+1/2,z+1/2", "-x,-y+1/2,z+1/2", "x,-y+1/2,-z+1/2", "-x,y+1/2,-z+1/2", "-x,-y+1/2,-z+1/2", "x,y+1/2,-z+1/2", "-x,y+1/2,z+1/2", "x,-y+1/2,z+1/2"], "universal_h_m": "A m m m", "number": 65, "schoenflies": "D2h^19", "hall": "-A 2 2", "hermann_mauguin": "A m m m", "ncsym": ["x,y,z", "-x,-y,z", "x,-y,-z", "-x,y,-z", "-x,-y,-z", "x,y,-z", "-x,y,z", "x,-y,z"], "short_h_m": "Ammm", "hermann_mauguin_u": "Ammm", "point_group": "mmm"}, {"symops": ["x,y,z", "-x,-y,z", "x,-y,-z", "-x,y,-z", "-x,-y,-z", "x,y,-z", "-x,y,z", "x,-y,z", "x+1/2,y,z+1/2", "-x+1/2,-y,z+1/2", "x+1/2,-y,-z+1/2", "-x+1/2,y,-z+1/2", "-x+1/2,-y,-z+1/2", "x+1/2,y,-z+1/2", "-x+1/2,y,z+1/2", "x+1/2,-y,z+1/2"], "universal_h_m": "B m m m", "number": 65, "schoenflies": "D2h^19", "hall": "-B 2 2", "hermann_mauguin": "B m m m", "ncsym": ["x,y,z", "-x,-y,z", "x,-y,-z", "-x,y,-z", "-x,-y,-z", "x,y,-z", "-x,y,z", "x,-y,z"], "short_h_m": "Bmmm", "hermann_mauguin_u": "Bmmm", "point_group": "mmm"}, {"symops": ["x,y,z", "-x,-y,z", "x,-y,-z+1/2", "-x,y,-z+1/2", "-x,-y,-z", "x,y,-z", "-x,y,z-1/2", "x,-y,z-1/2", "x+1/2,y+1/2,z", "-x+1/2,-y+1/2,z", "x+1/2,-y+1/2,-z+1/2", "-x+1/2,y+1/2,-z+1/2", "-x+1/2,-y+1/2,-z", "x+1/2,y+1/2,-z", "-x+1/2,y+1/2,z-1/2", "x+1/2,-y+1/2,z-1/2"], "universal_h_m": "C c c m", "number": 66, "schoenflies": "D2h^20", "hall": "-C 2 2c", "hermann_mauguin": "C c c m", "ncsym": ["x,y,z", "-x,-y,z", "x,-y,-z+1/2", "-x,y,-z+1/2", "-x,-y,-z", "x,y,-z", "-x,y,z-1/2", "x,-y,z-1/2"], "short_h_m": "Cccm", "hermann_mauguin_u": "Cccm", "point_group": "mmm"}, {"symops": ["x,y,z", "-x+1/2,-y,z", "x,-y,-z", "-x+1/2,y,-z", "-x,-y,-z", "x-1/2,y,-z", "-x,y,z", "x-1/2,-y,z", "x,y+1/2,z+1/2", "-x+1/2,-y+1/2,z+1/2", "x,-y+1/2,-z+1/2", "-x+1/2,y+1/2,-z+1/2", "-x,-y+1/2,-z+1/2", "x-1/2,y+1/2,-z+1/2", "-x,y+1/2,z+1/2", "x-1/2,-y+1/2,z+1/2"], "universal_h_m": "A m a a", "number": 66, "schoenflies": "D2h^20", "hall": "-A 2a 2", "hermann_mauguin": "A m a a", "ncsym": ["x,y,z", "-x+1/2,-y,z", "x,-y,-z", "-x+1/2,y,-z", "-x,-y,-z", "x-1/2,y,-z", "-x,y,z", "x-1/2,-y,z"], "short_h_m": "Amaa", "hermann_mauguin_u": "Amaa", "point_group": "mmm"}, {"symops": ["x,y,z", "-x,-y+1/2,z", "x,-y+1/2,-z", "-x,y,-z", "-x,-y,-z", "x,y-1/2,-z", "-x,y-1/2,z", "x,-y,z", "x+1/2,y,z+1/2", "-x+1/2,-y+1/2,z+1/2", "x+1/2,-y+1/2,-z+1/2", "-x+1/2,y,-z+1/2", "-x+1/2,-y,-z+1/2", "x+1/2,y-1/2,-z+1/2", "-x+1/2,y-1/2,z+1/2", "x+1/2,-y,z+1/2"], "universal_h_m": "B b m b", "number": 66, "schoenflies": "D2h^20", "hall": "-B 2b 2b", "hermann_mauguin": "B b m b", "ncsym": ["x,y,z", "-x,-y+1/2,z", "x,-y+1/2,-z", "-x,y,-z", "-x,-y,-z", "x,y-1/2,-z", "-x,y-1/2,z", "x,-y,z"], "short_h_m": "Bbmb", "hermann_mauguin_u": "Bbmb", "point_group": "mmm"}, {"symops": ["x,y,z", "-x+1/2,-y,z", "x,-y,-z", "-x+1/2,y,-z", "-x,-y,-z", "x-1/2,y,-z", "-x,y,z", "x-1/2,-y,z", "x+1/2,y+1/2,z", "-x+1,-y+1/2,z", "x+1/2,-y+1/2,-z", "-x+1,y+1/2,-z", "-x+1/2,-y+1/2,-z", "x,y+1/2,-z", "-x+1/2,y+1/2,z", "x,-y+1/2,z"], "universal_h_m": "C m m a", "number": 67, "schoenflies": "D2h^21", "hall": "-C 2a 2", "hermann_mauguin": "C m m a", "ncsym": ["x,y,z", "-x+1/2,-y,z", "x,-y,-z", "-x+1/2,y,-z", "-x,-y,-z", "x-1/2,y,-z", "-x,y,z", "x-1/2,-y,z"], "short_h_m": "Cmma", "hermann_mauguin_u": "Cmma", "point_group": "mmm"}, {"symops": ["x,y,z", "-x+1/2,-y,z", "x+1/2,-y,-z", "-x,y,-z", "-x,-y,-z", "x-1/2,y,-z", "-x-1/2,y,z", "x,-y,z", "x+1/2,y+1/2,z", "-x+1,-y+1/2,z", "x+1,-y+1/2,-z", "-x+1/2,y+1/2,-z", "-x+1/2,-y+1/2,-z", "x,y+1/2,-z", "-x,y+1/2,z", "x+1/2,-y+1/2,z"], "universal_h_m": "C m m b", "number": 67, "schoenflies": "D2h^21", "hall": "-C 2a 2a", "hermann_mauguin": "C m m b", "ncsym": ["x,y,z", "-x+1/2,-y,z", "x+1/2,-y,-z", "-x,y,-z", "-x,-y,-z", "x-1/2,y,-z", "-x-1/2,y,z", "x,-y,z"], "short_h_m": "Cmmb", "hermann_mauguin_u": "Cmmb", "point_group": "mmm"}, {"symops": ["x,y,z", "-x,-y+1/2,z", "x,-y+1/2,-z", "-x,y,-z", "-x,-y,-z", "x,y-1/2,-z", "-x,y-1/2,z", "x,-y,z", "x,y+1/2,z+1/2", "-x,-y+1,z+1/2", "x,-y+1,-z+1/2", "-x,y+1/2,-z+1/2", "-x,-y+1/2,-z+1/2", "x,y,-z+1/2", "-x,y,z+1/2", "x,-y+1/2,z+1/2"], "universal_h_m": "A b m m", "number": 67, "schoenflies": "D2h^21", "hall": "-A 2b 2b", "hermann_mauguin": "A b m m", "ncsym": ["x,y,z", "-x,-y+1/2,z", "x,-y+1/2,-z", "-x,y,-z", "-x,-y,-z", "x,y-1/2,-z", "-x,y-1/2,z", "x,-y,z"], "short_h_m": "Abmm", "hermann_mauguin_u": "Abmm", "point_group": "mmm"}, {"symops": ["x,y,z", "-x,-y,z", "x,-y+1/2,-z", "-x,y+1/2,-z", "-x,-y,-z", "x,y,-z", "-x,y-1/2,z", "x,-y-1/2,z", "x,y+1/2,z+1/2", "-x,-y+1/2,z+1/2", "x,-y+1,-z+1/2", "-x,y+1,-z+1/2", "-x,-y+1/2,-z+1/2", "x,y+1/2,-z+1/2", "-x,y,z+1/2", "x,-y,z+1/2"], "universal_h_m": "A c m m", "number": 67, "schoenflies": "D2h^21", "hall": "-A 2 2b", "hermann_mauguin": "A c m m", "ncsym": ["x,y,z", "-x,-y,z", "x,-y+1/2,-z", "-x,y+1/2,-z", "-x,-y,-z", "x,y,-z", "-x,y-1/2,z", "x,-y-1/2,z"], "short_h_m": "Acmm", "hermann_mauguin_u": "Acmm", "point_group": "mmm"}, {"symops": ["x,y,z", "-x,-y,z", "x+1/2,-y,-z", "-x+1/2,y,-z", "-x,-y,-z", "x,y,-z", "-x-1/2,y,z", "x-1/2,-y,z", "x+1/2,y,z+1/2", "-x+1/2,-y,z+1/2", "x+1,-y,-z+1/2", "-x+1,y,-z+1/2", "-x+1/2,-y,-z+1/2", "x+1/2,y,-z+1/2", "-x,y,z+1/2", "x,-y,z+1/2"], "universal_h_m": "B m c m", "number": 67, "schoenflies": "D2h^21", "hall": "-B 2 2a", "hermann_mauguin": "B m c m", "ncsym": ["x,y,z", "-x,-y,z", "x+1/2,-y,-z", "-x+1/2,y,-z", "-x,-y,-z", "x,y,-z", "-x-1/2,y,z", "x-1/2,-y,z"], "short_h_m": "Bmcm", "hermann_mauguin_u": "Bmcm", "point_group": "mmm"}, {"symops": ["x,y,z", "-x+1/2,-y,z", "x,-y,-z", "-x+1/2,y,-z", "-x,-y,-z", "x-1/2,y,-z", "-x,y,z", "x-1/2,-y,z", "x+1/2,y,z+1/2", "-x+1,-y,z+1/2", "x+1/2,-y,-z+1/2", "-x+1,y,-z+1/2", "-x+1/2,-y,-z+1/2", "x,y,-z+1/2", "-x+1/2,y,z+1/2", "x,-y,z+1/2"], "universal_h_m": "B m a m", "number": 67, "schoenflies": "D2h^21", "hall": "-B 2a 2", "hermann_mauguin": "B m a m", "ncsym": ["x,y,z", "-x+1/2,-y,z", "x,-y,-z", "-x+1/2,y,-z", "-x,-y,-z", "x-1/2,y,-z", "-x,y,z", "x-1/2,-y,z"], "short_h_m": "Bmam", "hermann_mauguin_u": "Bmam", "point_group": "mmm"}, {"symops": ["x,y,z", "-x,-y,z", "x,-y,-z", "-x,y,-z", "-x+1/2,-y,-z+1/2", "x+1/2,y,-z+1/2", "-x+1/2,y,z+1/2", "x+1/2,-y,z+1/2", "x+1/2,y+1/2,z", "-x+1/2,-y+1/2,z", "x+1/2,-y+1/2,-z", "-x+1/2,y+1/2,-z", "-x+1,-y+1/2,-z+1/2", "x+1,y+1/2,-z+1/2", "-x+1,y+1/2,z+1/2", "x+1,-y+1/2,z+1/2"], "universal_h_m": "C c c e :1", "number": 68, "schoenflies": "D2h^22", "hall": " C 2 2 -1ac", "hermann_mauguin": "C c c e", "ncsym": ["x,y,z", "-x,-y,z", "x,-y,-z", "-x,y,-z", "-x+1/2,-y,-z+1/2", "x+1/2,y,-z+1/2", "-x+1/2,y,z+1/2", "x+1/2,-y,z+1/2"], "short_h_m": "Ccce", "hermann_mauguin_u": "Ccce", "point_group": "mmm"}, {"symops": ["x,y,z", "-x+1/2,-y,z", "x+1/2,-y,-z+1/2", "-x,y,-z+1/2", "-x,-y,-z", "x-1/2,y,-z", "-x-1/2,y,z-1/2", "x,-y,z-1/2", "x+1/2,y+1/2,z", "-x+1,-y+1/2,z", "x+1,-y+1/2,-z+1/2", "-x+1/2,y+1/2,-z+1/2", "-x+1/2,-y+1/2,-z", "x,y+1/2,-z", "-x,y+1/2,z-1/2", "x+1/2,-y+1/2,z-1/2"], "universal_h_m": "C c c a :2", "number": 68, "schoenflies": "D2h^22", "hall": "-C 2a 2ac", "hermann_mauguin": "C c c a", "ncsym": ["x,y,z", "-x+1/2,-y,z", "x+1/2,-y,-z+1/2", "-x,y,-z+1/2", "-x,-y,-z", "x-1/2,y,-z", "-x-1/2,y,z-1/2", "x,-y,z-1/2"], "short_h_m": "Ccca", "hermann_mauguin_u": "Ccca", "point_group": "mmm"}, {"symops": ["x,y,z", "-x+1/2,-y,z", "x,-y,-z+1/2", "-x+1/2,y,-z+1/2", "-x,-y,-z", "x-1/2,y,-z", "-x,y,z-1/2", "x-1/2,-y,z-1/2", "x+1/2,y+1/2,z", "-x+1,-y+1/2,z", "x+1/2,-y+1/2,-z+1/2", "-x+1,y+1/2,-z+1/2", "-x+1/2,-y+1/2,-z", "x,y+1/2,-z", "-x+1/2,y+1/2,z-1/2", "x,-y+1/2,z-1/2"], "universal_h_m": "C c c b :2", "number": 68, "schoenflies": "D2h^22", "hall": "-C 2a 2c", "hermann_mauguin": "C c c b", "ncsym": ["x,y,z", "-x+1/2,-y,z", "x,-y,-z+1/2", "-x+1/2,y,-z+1/2", "-x,-y,-z", "x-1/2,y,-z", "-x,y,z-1/2", "x-1/2,-y,z-1/2"], "short_h_m": "Cccb", "hermann_mauguin_u": "Cccb", "point_group": "mmm"}, {"symops": ["x,y,z", "-x,-y,z", "x,-y,-z", "-x,y,-z", "-x+1/2,-y+1/2,-z", "x+1/2,y+1/2,-z", "-x+1/2,y+1/2,z", "x+1/2,-y+1/2,z", "x,y+1/2,z+1/2", "-x,-y+1/2,z+1/2", "x,-y+1/2,-z+1/2", "-x,y+1/2,-z+1/2", "-x+1/2,-y+1,-z+1/2", "x+1/2,y+1,-z+1/2", "-x+1/2,y+1,z+1/2", "x+1/2,-y+1,z+1/2"], "universal_h_m": "A e a a :1", "number": 68, "schoenflies": "D2h^22", "hall": " A 2 2 -1ab", "hermann_mauguin": "A e a a", "ncsym": ["x,y,z", "-x,-y,z", "x,-y,-z", "-x,y,-z", "-x+1/2,-y+1/2,-z", "x+1/2,y+1/2,-z", "-x+1/2,y+1/2,z", "x+1/2,-y+1/2,z"], "short_h_m": "Aeaa", "hermann_mauguin_u": "Aeaa", "point_group": "mmm"}, {"symops": ["x,y,z", "-x+1/2,-y,z", "x,-y+1/2,-z", "-x+1/2,y+1/2,-z", "-x,-y,-z", "x-1/2,y,-z", "-x,y-1/2,z", "x-1/2,-y-1/2,z", "x,y+1/2,z+1/2", "-x+1/2,-y+1/2,z+1/2", "x,-y+1,-z+1/2", "-x+1/2,y+1,-z+1/2", "-x,-y+1/2,-z+1/2", "x-1/2,y+1/2,-z+1/2", "-x,y,z+1/2", "x-1/2,-y,z+1/2"], "universal_h_m": "A b a a :2", "number": 68, "schoenflies": "D2h^22", "hall": "-A 2a 2b", "hermann_mauguin": "A b a a", "ncsym": ["x,y,z", "-x+1/2,-y,z", "x,-y+1/2,-z", "-x+1/2,y+1/2,-z", "-x,-y,-z", "x-1/2,y,-z", "-x,y-1/2,z", "x-1/2,-y-1/2,z"], "short_h_m": "Abaa", "hermann_mauguin_u": "Abaa", "point_group": "mmm"}, {"symops": ["x,y,z", "-x+1/2,-y+1/2,z", "x,-y+1/2,-z", "-x+1/2,y,-z", "-x,-y,-z", "x-1/2,y-1/2,-z", "-x,y-1/2,z", "x-1/2,-y,z", "x,y+1/2,z+1/2", "-x+1/2,-y+1,z+1/2", "x,-y+1,-z+1/2", "-x+1/2,y+1/2,-z+1/2", "-x,-y+1/2,-z+1/2", "x-1/2,y,-z+1/2", "-x,y,z+1/2", "x-1/2,-y+1/2,z+1/2"], "universal_h_m": "A c a a :2", "number": 68, "schoenflies": "D2h^22", "hall": "-A 2ab 2b", "hermann_mauguin": "A c a a", "ncsym": ["x,y,z", "-x+1/2,-y+1/2,z", "x,-y+1/2,-z", "-x+1/2,y,-z", "-x,-y,-z", "x-1/2,y-1/2,-z", "-x,y-1/2,z", "x-1/2,-y,z"], "short_h_m": "Acaa", "hermann_mauguin_u": "Acaa", "point_group": "mmm"}, {"symops": ["x,y,z", "-x,-y,z", "x,-y,-z", "-x,y,-z", "-x+1/2,-y+1/2,-z", "x+1/2,y+1/2,-z", "-x+1/2,y+1/2,z", "x+1/2,-y+1/2,z", "x+1/2,y,z+1/2", "-x+1/2,-y,z+1/2", "x+1/2,-y,-z+1/2", "-x+1/2,y,-z+1/2", "-x+1,-y+1/2,-z+1/2", "x+1,y+1/2,-z+1/2", "-x+1,y+1/2,z+1/2", "x+1,-y+1/2,z+1/2"], "universal_h_m": "B b e b :1", "number": 68, "schoenflies": "D2h^22", "hall": " B 2 2 -1ab", "hermann_mauguin": "B b e b", "ncsym": ["x,y,z", "-x,-y,z", "x,-y,-z", "-x,y,-z", "-x+1/2,-y+1/2,-z", "x+1/2,y+1/2,-z", "-x+1/2,y+1/2,z", "x+1/2,-y+1/2,z"], "short_h_m": "Bbeb", "hermann_mauguin_u": "Bbeb", "point_group": "mmm"}, {"symops": ["x,y,z", "-x+1/2,-y+1/2,z", "x,-y+1/2,-z", "-x+1/2,y,-z", "-x,-y,-z", "x-1/2,y-1/2,-z", "-x,y-1/2,z", "x-1/2,-y,z", "x+1/2,y,z+1/2", "-x+1,-y+1/2,z+1/2", "x+1/2,-y+1/2,-z+1/2", "-x+1,y,-z+1/2", "-x+1/2,-y,-z+1/2", "x,y-1/2,-z+1/2", "-x+1/2,y-1/2,z+1/2", "x,-y,z+1/2"], "universal_h_m": "B b c b :2", "number": 68, "schoenflies": "D2h^22", "hall": "-B 2ab 2b", "hermann_mauguin": "B b c b", "ncsym": ["x,y,z", "-x+1/2,-y+1/2,z", "x,-y+1/2,-z", "-x+1/2,y,-z", "-x,-y,-z", "x-1/2,y-1/2,-z", "-x,y-1/2,z", "x-1/2,-y,z"], "short_h_m": "Bbcb", "hermann_mauguin_u": "Bbcb", "point_group": "mmm"}, {"symops": ["x,y,z", "-x,-y+1/2,z", "x+1/2,-y+1/2,-z", "-x+1/2,y,-z", "-x,-y,-z", "x,y-1/2,-z", "-x-1/2,y-1/2,z", "x-1/2,-y,z", "x+1/2,y,z+1/2", "-x+1/2,-y+1/2,z+1/2", "x+1,-y+1/2,-z+1/2", "-x+1,y,-z+1/2", "-x+1/2,-y,-z+1/2", "x+1/2,y-1/2,-z+1/2", "-x,y-1/2,z+1/2", "x,-y,z+1/2"], "universal_h_m": "B b a b :2", "number": 68, "schoenflies": "D2h^22", "hall": "-B 2b 2ab", "hermann_mauguin": "B b a b", "ncsym": ["x,y,z", "-x,-y+1/2,z", "x+1/2,-y+1/2,-z", "-x+1/2,y,-z", "-x,-y,-z", "x,y-1/2,-z", "-x-1/2,y-1/2,z", "x-1/2,-y,z"], "short_h_m": "Bbab", "hermann_mauguin_u": "Bbab", "point_group": "mmm"}, {"symops": ["x,y,z", "-x,-y,z", "x,-y,-z", "-x,y,-z", "-x,-y,-z", "x,y,-z", "-x,y,z", "x,-y,z", "x,y+1/2,z+1/2", "-x,-y+1/2,z+1/2", "x,-y+1/2,-z+1/2", "-x,y+1/2,-z+1/2", "-x,-y+1/2,-z+1/2", "x,y+1/2,-z+1/2", "-x,y+1/2,z+1/2", "x,-y+1/2,z+1/2", "x+1/2,y,z+1/2", "-x+1/2,-y,z+1/2", "x+1/2,-y,-z+1/2", "-x+1/2,y,-z+1/2", "-x+1/2,-y,-z+1/2", "x+1/2,y,-z+1/2", "-x+1/2,y,z+1/2", "x+1/2,-y,z+1/2", "x+1/2,y+1/2,z", "-x+1/2,-y+1/2,z", "x+1/2,-y+1/2,-z", "-x+1/2,y+1/2,-z", "-x+1/2,-y+1/2,-z", "x+1/2,y+1/2,-z", "-x+1/2,y+1/2,z", "x+1/2,-y+1/2,z"], "universal_h_m": "F m m m", "number": 69, "schoenflies": "D2h^23", "hall": "-F 2 2", "hermann_mauguin": "F m m m", "ncsym": ["x,y,z", "-x,-y,z", "x,-y,-z", "-x,y,-z", "-x,-y,-z", "x,y,-z", "-x,y,z", "x,-y,z"], "short_h_m": "Fmmm", "hermann_mauguin_u": "Fmmm", "point_group": "mmm"}, {"symops": ["x,y,z", "-x,-y,z", "x,-y,-z", "-x,y,-z", "-x+1/4,-y+1/4,-z+1/4", "x+1/4,y+1/4,-z+1/4", "-x+1/4,y+1/4,z+1/4", "x+1/4,-y+1/4,z+1/4", "x,y+1/2,z+1/2", "-x,-y+1/2,z+1/2", "x,-y+1/2,-z+1/2", "-x,y+1/2,-z+1/2", "-x+1/4,-y+3/4,-z+3/4", "x+1/4,y+3/4,-z+3/4", "-x+1/4,y+3/4,z+3/4", "x+1/4,-y+3/4,z+3/4", "x+1/2,y,z+1/2", "-x+1/2,-y,z+1/2", "x+1/2,-y,-z+1/2", "-x+1/2,y,-z+1/2", "-x+3/4,-y+1/4,-z+3/4", "x+3/4,y+1/4,-z+3/4", "-x+3/4,y+1/4,z+3/4", "x+3/4,-y+1/4,z+3/4", "x+1/2,y+1/2,z", "-x+1/2,-y+1/2,z", "x+1/2,-y+1/2,-z", "-x+1/2,y+1/2,-z", "-x+3/4,-y+3/4,-z+1/4", "x+3/4,y+3/4,-z+1/4", "-x+3/4,y+3/4,z+1/4", "x+3/4,-y+3/4,z+1/4"], "universal_h_m": "F d d d :1", "number": 70, "schoenflies": "D2h^24", "hall": " F 2 2 -1d", "hermann_mauguin": "F d d d", "ncsym": ["x,y,z", "-x,-y,z", "x,-y,-z", "-x,y,-z", "-x+1/4,-y+1/4,-z+1/4", "x+1/4,y+1/4,-z+1/4", "-x+1/4,y+1/4,z+1/4", "x+1/4,-y+1/4,z+1/4"], "short_h_m": "Fddd", "hermann_mauguin_u": "Fddd", "point_group": "mmm"}, {"symops": ["x,y,z", "-x+1/4,-y+1/4,z", "x,-y+1/4,-z+1/4", "-x+1/4,y,-z+1/4", "-x,-y,-z", "x-1/4,y-1/4,-z", "-x,y-1/4,z-1/4", "x-1/4,-y,z-1/4", "x,y+1/2,z+1/2", "-x+1/4,-y+3/4,z+1/2", "x,-y+3/4,-z+3/4", "-x+1/4,y+1/2,-z+3/4", "-x,-y+1/2,-z+1/2", "x-1/4,y+1/4,-z+1/2", "-x,y+1/4,z+1/4", "x-1/4,-y+1/2,z+1/4", "x+1/2,y,z+1/2", "-x+3/4,-y+1/4,z+1/2", "x+1/2,-y+1/4,-z+3/4", "-x+3/4,y,-z+3/4", "-x+1/2,-y,-z+1/2", "x+1/4,y-1/4,-z+1/2", "-x+1/2,y-1/4,z+1/4", "x+1/4,-y,z+1/4", "x+1/2,y+1/2,z", "-x+3/4,-y+3/4,z", "x+1/2,-y+3/4,-z+1/4", "-x+3/4,y+1/2,-z+1/4", "-x+1/2,-y+1/2,-z", "x+1/4,y+1/4,-z", "-x+1/2,y+1/4,z-1/4", "x+1/4,-y+1/2,z-1/4"], "universal_h_m": "F d d d :2", "number": 70, "schoenflies": "D2h^24", "hall": "-F 2uv 2vw", "hermann_mauguin": "F d d d", "ncsym": ["x,y,z", "-x+1/4,-y+1/4,z", "x,-y+1/4,-z+1/4", "-x+1/4,y,-z+1/4", "-x,-y,-z", "x-1/4,y-1/4,-z", "-x,y-1/4,z-1/4", "x-1/4,-y,z-1/4"], "short_h_m": "Fddd", "hermann_mauguin_u": "Fddd", "point_group": "mmm"}, {"symops": ["x,y,z", "-x,-y,z", "x,-y,-z", "-x,y,-z", "-x,-y,-z", "x,y,-z", "-x,y,z", "x,-y,z", "x+1/2,y+1/2,z+1/2", "-x+1/2,-y+1/2,z+1/2", "x+1/2,-y+1/2,-z+1/2", "-x+1/2,y+1/2,-z+1/2", "-x+1/2,-y+1/2,-z+1/2", "x+1/2,y+1/2,-z+1/2", "-x+1/2,y+1/2,z+1/2", "x+1/2,-y+1/2,z+1/2"], "universal_h_m": "I m m m", "number": 71, "schoenflies": "D2h^25", "hall": "-I 2 2", "hermann_mauguin": "I m m m", "ncsym": ["x,y,z", "-x,-y,z", "x,-y,-z", "-x,y,-z", "-x,-y,-z", "x,y,-z", "-x,y,z", "x,-y,z"], "short_h_m": "Immm", "hermann_mauguin_u": "Immm", "point_group": "mmm"}, {"symops": ["x,y,z", "-x,-y,z", "x,-y,-z+1/2", "-x,y,-z+1/2", "-x,-y,-z", "x,y,-z", "-x,y,z-1/2", "x,-y,z-1/2", "x+1/2,y+1/2,z+1/2", "-x+1/2,-y+1/2,z+1/2", "x+1/2,-y+1/2,-z+1", "-x+1/2,y+1/2,-z+1", "-x+1/2,-y+1/2,-z+1/2", "x+1/2,y+1/2,-z+1/2", "-x+1/2,y+1/2,z", "x+1/2,-y+1/2,z"], "universal_h_m": "I b a m", "number": 72, "schoenflies": "D2h^26", "hall": "-I 2 2c", "hermann_mauguin": "I b a m", "ncsym": ["x,y,z", "-x,-y,z", "x,-y,-z+1/2", "-x,y,-z+1/2", "-x,-y,-z", "x,y,-z", "-x,y,z-1/2", "x,-y,z-1/2"], "short_h_m": "Ibam", "hermann_mauguin_u": "Ibam", "point_group": "mmm"}, {"symops": ["x,y,z", "-x+1/2,-y,z", "x,-y,-z", "-x+1/2,y,-z", "-x,-y,-z", "x-1/2,y,-z", "-x,y,z", "x-1/2,-y,z", "x+1/2,y+1/2,z+1/2", "-x+1,-y+1/2,z+1/2", "x+1/2,-y+1/2,-z+1/2", "-x+1,y+1/2,-z+1/2", "-x+1/2,-y+1/2,-z+1/2", "x,y+1/2,-z+1/2", "-x+1/2,y+1/2,z+1/2", "x,-y+1/2,z+1/2"], "universal_h_m": "I m c b", "number": 72, "schoenflies": "D2h^26", "hall": "-I 2a 2", "hermann_mauguin": "I m c b", "ncsym": ["x,y,z", "-x+1/2,-y,z", "x,-y,-z", "-x+1/2,y,-z", "-x,-y,-z", "x-1/2,y,-z", "-x,y,z", "x-1/2,-y,z"], "short_h_m": "Imcb", "hermann_mauguin_u": "Imcb", "point_group": "mmm"}, {"symops": ["x,y,z", "-x,-y+1/2,z", "x,-y+1/2,-z", "-x,y,-z", "-x,-y,-z", "x,y-1/2,-z", "-x,y-1/2,z", "x,-y,z", "x+1/2,y+1/2,z+1/2", "-x+1/2,-y+1,z+1/2", "x+1/2,-y+1,-z+1/2", "-x+1/2,y+1/2,-z+1/2", "-x+1/2,-y+1/2,-z+1/2", "x+1/2,y,-z+1/2", "-x+1/2,y,z+1/2", "x+1/2,-y+1/2,z+1/2"], "universal_h_m": "I c m a", "number": 72, "schoenflies": "D2h^26", "hall": "-I 2b 2b", "hermann_mauguin": "I c m a", "ncsym": ["x,y,z", "-x,-y+1/2,z", "x,-y+1/2,-z", "-x,y,-z", "-x,-y,-z", "x,y-1/2,-z", "-x,y-1/2,z", "x,-y,z"], "short_h_m": "Icma", "hermann_mauguin_u": "Icma", "point_group": "mmm"}, {"symops": ["x,y,z", "-x,-y+1/2,z", "x,-y,-z+1/2", "-x,y+1/2,-z+1/2", "-x,-y,-z", "x,y-1/2,-z", "-x,y,z-1/2", "x,-y-1/2,z-1/2", "x+1/2,y+1/2,z+1/2", "-x+1/2,-y+1,z+1/2", "x+1/2,-y+1/2,-z+1", "-x+1/2,y+1,-z+1", "-x+1/2,-y+1/2,-z+1/2", "x+1/2,y,-z+1/2", "-x+1/2,y+1/2,z", "x+1/2,-y,z"], "universal_h_m": "I b c a", "number": 73, "schoenflies": "D2h^27", "hall": "-I 2b 2c", "hermann_mauguin": "I b c a", "ncsym": ["x,y,z", "-x,-y+1/2,z", "x,-y,-z+1/2", "-x,y+1/2,-z+1/2", "-x,-y,-z", "x,y-1/2,-z", "-x,y,z-1/2", "x,-y-1/2,z-1/2"], "short_h_m": "Ibca", "hermann_mauguin_u": "Ibca", "point_group": "mmm"}, {"symops": ["x,y,z", "-x+1/2,-y,z", "x,-y+1/2,-z", "-x+1/2,y+1/2,-z", "-x,-y,-z", "x-1/2,y,-z", "-x,y-1/2,z", "x-1/2,-y-1/2,z", "x+1/2,y+1/2,z+1/2", "-x+1,-y+1/2,z+1/2", "x+1/2,-y+1,-z+1/2", "-x+1,y+1,-z+1/2", "-x+1/2,-y+1/2,-z+1/2", "x,y+1/2,-z+1/2", "-x+1/2,y,z+1/2", "x,-y,z+1/2"], "universal_h_m": "I c a b", "number": 73, "schoenflies": "D2h^27", "hall": "-I 2a 2b", "hermann_mauguin": "I c a b", "ncsym": ["x,y,z", "-x+1/2,-y,z", "x,-y+1/2,-z", "-x+1/2,y+1/2,-z", "-x,-y,-z", "x-1/2,y,-z", "-x,y-1/2,z", "x-1/2,-y-1/2,z"], "short_h_m": "Icab", "hermann_mauguin_u": "Icab", "point_group": "mmm"}, {"symops": ["x,y,z", "-x,-y+1/2,z", "x,-y,-z", "-x,y+1/2,-z", "-x,-y,-z", "x,y-1/2,-z", "-x,y,z", "x,-y-1/2,z", "x+1/2,y+1/2,z+1/2", "-x+1/2,-y+1,z+1/2", "x+1/2,-y+1/2,-z+1/2", "-x+1/2,y+1,-z+1/2", "-x+1/2,-y+1/2,-z+1/2", "x+1/2,y,-z+1/2", "-x+1/2,y+1/2,z+1/2", "x+1/2,-y,z+1/2"], "universal_h_m": "I m m a", "number": 74, "schoenflies": "D2h^28", "hall": "-I 2b 2", "hermann_mauguin": "I m m a", "ncsym": ["x,y,z", "-x,-y+1/2,z", "x,-y,-z", "-x,y+1/2,-z", "-x,-y,-z", "x,y-1/2,-z", "-x,y,z", "x,-y-1/2,z"], "short_h_m": "Imma", "hermann_mauguin_u": "Imma", "point_group": "mmm"}, {"symops": ["x,y,z", "-x+1/2,-y,z", "x+1/2,-y,-z", "-x,y,-z", "-x,-y,-z", "x-1/2,y,-z", "-x-1/2,y,z", "x,-y,z", "x+1/2,y+1/2,z+1/2", "-x+1,-y+1/2,z+1/2", "x+1,-y+1/2,-z+1/2", "-x+1/2,y+1/2,-z+1/2", "-x+1/2,-y+1/2,-z+1/2", "x,y+1/2,-z+1/2", "-x,y+1/2,z+1/2", "x+1/2,-y+1/2,z+1/2"], "universal_h_m": "I m m b", "number": 74, "schoenflies": "D2h^28", "hall": "-I 2a 2a", "hermann_mauguin": "I m m b", "ncsym": ["x,y,z", "-x+1/2,-y,z", "x+1/2,-y,-z", "-x,y,-z", "-x,-y,-z", "x-1/2,y,-z", "-x-1/2,y,z", "x,-y,z"], "short_h_m": "Immb", "hermann_mauguin_u": "Immb", "point_group": "mmm"}, {"symops": ["x,y,z", "-x,-y,z+1/2", "x,-y,-z+1/2", "-x,y,-z", "-x,-y,-z", "x,y,-z-1/2", "-x,y,z-1/2", "x,-y,z", "x+1/2,y+1/2,z+1/2", "-x+1/2,-y+1/2,z+1", "x+1/2,-y+1/2,-z+1", "-x+1/2,y+1/2,-z+1/2", "-x+1/2,-y+1/2,-z+1/2", "x+1/2,y+1/2,-z", "-x+1/2,y+1/2,z", "x+1/2,-y+1/2,z+1/2"], "universal_h_m": "I b m m", "number": 74, "schoenflies": "D2h^28", "hall": "-I 2c 2c", "hermann_mauguin": "I b m m", "ncsym": ["x,y,z", "-x,-y,z+1/2", "x,-y,-z+1/2", "-x,y,-z", "-x,-y,-z", "x,y,-z-1/2", "-x,y,z-1/2", "x,-y,z"], "short_h_m": "Ibmm", "hermann_mauguin_u": "Ibmm", "point_group": "mmm"}, {"symops": ["x,y,z", "-x,-y,z", "x,-y+1/2,-z", "-x,y+1/2,-z", "-x,-y,-z", "x,y,-z", "-x,y-1/2,z", "x,-y-1/2,z", "x+1/2,y+1/2,z+1/2", "-x+1/2,-y+1/2,z+1/2", "x+1/2,-y+1,-z+1/2", "-x+1/2,y+1,-z+1/2", "-x+1/2,-y+1/2,-z+1/2", "x+1/2,y+1/2,-z+1/2", "-x+1/2,y,z+1/2", "x+1/2,-y,z+1/2"], "universal_h_m": "I c m m", "number": 74, "schoenflies": "D2h^28", "hall": "-I 2 2b", "hermann_mauguin": "I c m m", "ncsym": ["x,y,z", "-x,-y,z", "x,-y+1/2,-z", "-x,y+1/2,-z", "-x,-y,-z", "x,y,-z", "-x,y-1/2,z", "x,-y-1/2,z"], "short_h_m": "Icmm", "hermann_mauguin_u": "Icmm", "point_group": "mmm"}, {"symops": ["x,y,z", "-x,-y,z", "x+1/2,-y,-z", "-x+1/2,y,-z", "-x,-y,-z", "x,y,-z", "-x-1/2,y,z", "x-1/2,-y,z", "x+1/2,y+1/2,z+1/2", "-x+1/2,-y+1/2,z+1/2", "x+1,-y+1/2,-z+1/2", "-x+1,y+1/2,-z+1/2", "-x+1/2,-y+1/2,-z+1/2", "x+1/2,y+1/2,-z+1/2", "-x,y+1/2,z+1/2", "x,-y+1/2,z+1/2"], "universal_h_m": "I m c m", "number": 74, "schoenflies": "D2h^28", "hall": "-I 2 2a", "hermann_mauguin": "I m c m", "ncsym": ["x,y,z", "-x,-y,z", "x+1/2,-y,-z", "-x+1/2,y,-z", "-x,-y,-z", "x,y,-z", "-x-1/2,y,z", "x-1/2,-y,z"], "short_h_m": "Imcm", "hermann_mauguin_u": "Imcm", "point_group": "mmm"}, {"symops": ["x,y,z", "-x,-y,z+1/2", "x,-y,-z", "-x,y,-z+1/2", "-x,-y,-z", "x,y,-z-1/2", "-x,y,z", "x,-y,z-1/2", "x+1/2,y+1/2,z+1/2", "-x+1/2,-y+1/2,z+1", "x+1/2,-y+1/2,-z+1/2", "-x+1/2,y+1/2,-z+1", "-x+1/2,-y+1/2,-z+1/2", "x+1/2,y+1/2,-z", "-x+1/2,y+1/2,z+1/2", "x+1/2,-y+1/2,z"], "universal_h_m": "I m a m", "number": 74, "schoenflies": "D2h^28", "hall": "-I 2c 2", "hermann_mauguin": "I m a m", "ncsym": ["x,y,z", "-x,-y,z+1/2", "x,-y,-z", "-x,y,-z+1/2", "-x,-y,-z", "x,y,-z-1/2", "-x,y,z", "x,-y,z-1/2"], "short_h_m": "Imam", "hermann_mauguin_u": "Imam", "point_group": "mmm"}, {"symops": ["x,y,z", "-y,x,z", "-x,-y,z", "y,-x,z"], "universal_h_m": "P 4", "number": 75, "schoenflies": "C4^1", "hall": " P 4", "hermann_mauguin": "P 4", "ncsym": ["x,y,z", "-y,x,z", "-x,-y,z", "y,-x,z"], "short_h_m": "P4", "hermann_mauguin_u": "P4", "point_group": "4"}, {"symops": ["x,y,z", "-y,x,z+1/4", "-x,-y,z+1/2", "y,-x,z+3/4"], "universal_h_m": "P 41", "number": 76, "schoenflies": "C4^2", "hall": " P 4w", "hermann_mauguin": "P 41", "ncsym": ["x,y,z", "-y,x,z+1/4", "-x,-y,z+1/2", "y,-x,z+3/4"], "short_h_m": "P4_1", "hermann_mauguin_u": "P4_1", "point_group": "4"}, {"symops": ["x,y,z", "-y,x,z+1/2", "-x,-y,z", "y,-x,z+1/2"], "universal_h_m": "P 42", "number": 77, "schoenflies": "C4^3", "hall": " P 4c", "hermann_mauguin": "P 42", "ncsym": ["x,y,z", "-y,x,z+1/2", "-x,-y,z", "y,-x,z+1/2"], "short_h_m": "P4_2", "hermann_mauguin_u": "P4_2", "point_group": "4"}, {"symops": ["x,y,z", "-y,x,z+3/4", "-x,-y,z+1/2", "y,-x,z+1/4"], "universal_h_m": "P 43", "number": 78, "schoenflies": "C4^4", "hall": " P 4cw", "hermann_mauguin": "P 43", "ncsym": ["x,y,z", "-y,x,z+3/4", "-x,-y,z+1/2", "y,-x,z+1/4"], "short_h_m": "P4_3", "hermann_mauguin_u": "P4_3", "point_group": "4"}, {"symops": ["x,y,z", "-y,x,z", "-x,-y,z", "y,-x,z", "x+1/2,y+1/2,z+1/2", "-y+1/2,x+1/2,z+1/2", "-x+1/2,-y+1/2,z+1/2", "y+1/2,-x+1/2,z+1/2"], "universal_h_m": "I 4", "number": 79, "schoenflies": "C4^5", "hall": " I 4", "hermann_mauguin": "I 4", "ncsym": ["x,y,z", "-y,x,z", "-x,-y,z", "y,-x,z"], "short_h_m": "I4", "hermann_mauguin_u": "I4", "point_group": "4"}, {"symops": ["x,y,z", "-y,x+1/2,z+1/4", "-x+1/2,-y+1/2,z+1/2", "y+1/2,-x,z+3/4", "x+1/2,y+1/2,z+1/2", "-y+1/2,x+1,z+3/4", "-x+1,-y+1,z+1", "y+1,-x+1/2,z+5/4"], "universal_h_m": "I 41", "number": 80, "schoenflies": "C4^6", "hall": " I 4bw", "hermann_mauguin": "I 41", "ncsym": ["x,y,z", "-y,x+1/2,z+1/4", "-x+1/2,-y+1/2,z+1/2", "y+1/2,-x,z+3/4"], "short_h_m": "I4_1", "hermann_mauguin_u": "I4_1", "point_group": "4"}, {"symops": ["x,y,z", "y,-x,-z", "-x,-y,z", "-y,x,-z"], "universal_h_m": "P -4", "number": 81, "schoenflies": "S4^1", "hall": " P -4", "hermann_mauguin": "P -4", "ncsym": ["x,y,z", "y,-x,-z", "-x,-y,z", "-y,x,-z"], "short_h_m": "P-4", "hermann_mauguin_u": "P-4", "point_group": "-4"}, {"symops": ["x,y,z", "y,-x,-z", "-x,-y,z", "-y,x,-z", "x+1/2,y+1/2,z+1/2", "y+1/2,-x+1/2,-z+1/2", "-x+1/2,-y+1/2,z+1/2", "-y+1/2,x+1/2,-z+1/2"], "universal_h_m": "I -4", "number": 82, "schoenflies": "S4^2", "hall": " I -4", "hermann_mauguin": "I -4", "ncsym": ["x,y,z", "y,-x,-z", "-x,-y,z", "-y,x,-z"], "short_h_m": "I-4", "hermann_mauguin_u": "I-4", "point_group": "-4"}, {"symops": ["x,y,z", "-y,x,z", "-x,-y,z", "y,-x,z", "-x,-y,-z", "y,-x,-z", "x,y,-z", "-y,x,-z"], "universal_h_m": "P 4/m", "number": 83, "schoenflies": "C4h^1", "hall": "-P 4", "hermann_mauguin": "P 4/m", "ncsym": ["x,y,z", "-y,x,z", "-x,-y,z", "y,-x,z", "-x,-y,-z", "y,-x,-z", "x,y,-z", "-y,x,-z"], "short_h_m": "P4/m", "hermann_mauguin_u": "P4/m", "point_group": "4/m"}, {"symops": ["x,y,z", "-y,x,z+1/2", "-x,-y,z", "y,-x,z+1/2", "-x,-y,-z", "y,-x,-z-1/2", "x,y,-z", "-y,x,-z-1/2"], "universal_h_m": "P 42/m", "number": 84, "schoenflies": "C4h^2", "hall": "-P 4c", "hermann_mauguin": "P 42/m", "ncsym": ["x,y,z", "-y,x,z+1/2", "-x,-y,z", "y,-x,z+1/2", "-x,-y,-z", "y,-x,-z-1/2", "x,y,-z", "-y,x,-z-1/2"], "short_h_m": "P4_2/m", "hermann_mauguin_u": "P4_2/m", "point_group": "4/m"}, {"symops": ["x,y,z", "-y+1/2,x+1/2,z", "-x,-y,z", "y+1/2,-x+1/2,z", "-x+1/2,-y+1/2,-z", "y,-x,-z", "x+1/2,y+1/2,-z", "-y,x,-z"], "universal_h_m": "P 4/n :1", "number": 85, "schoenflies": "C4h^3", "hall": " P 4ab -1ab", "hermann_mauguin": "P 4/n", "ncsym": ["x,y,z", "-y+1/2,x+1/2,z", "-x,-y,z", "y+1/2,-x+1/2,z", "-x+1/2,-y+1/2,-z", "y,-x,-z", "x+1/2,y+1/2,-z", "-y,x,-z"], "short_h_m": "P4/n", "hermann_mauguin_u": "P4/n", "point_group": "4/m"}, {"symops": ["x,y,z", "-y+1/2,x,z", "-x+1/2,-y+1/2,z", "y,-x+1/2,z", "-x,-y,-z", "y-1/2,-x,-z", "x-1/2,y-1/2,-z", "-y,x-1/2,-z"], "universal_h_m": "P 4/n :2", "number": 85, "schoenflies": "C4h^3", "hall": "-P 4a", "hermann_mauguin": "P 4/n", "ncsym": ["x,y,z", "-y+1/2,x,z", "-x+1/2,-y+1/2,z", "y,-x+1/2,z", "-x,-y,-z", "y-1/2,-x,-z", "x-1/2,y-1/2,-z", "-y,x-1/2,-z"], "short_h_m": "P4/n", "hermann_mauguin_u": "P4/n", "point_group": "4/m"}, {"symops": ["x,y,z", "-y+1/2,x+1/2,z+1/2", "-x,-y,z", "y+1/2,-x+1/2,z+1/2", "-x+1/2,-y+1/2,-z+1/2", "y,-x,-z", "x+1/2,y+1/2,-z+1/2", "-y,x,-z"], "universal_h_m": "P 42/n :1", "number": 86, "schoenflies": "C4h^4", "hall": " P 4n -1n", "hermann_mauguin": "P 42/n", "ncsym": ["x,y,z", "-y+1/2,x+1/2,z+1/2", "-x,-y,z", "y+1/2,-x+1/2,z+1/2", "-x+1/2,-y+1/2,-z+1/2", "y,-x,-z", "x+1/2,y+1/2,-z+1/2", "-y,x,-z"], "short_h_m": "P4_2/n", "hermann_mauguin_u": "P4_2/n", "point_group": "4/m"}, {"symops": ["x,y,z", "-y,x+1/2,z+1/2", "-x+1/2,-y+1/2,z", "y+1/2,-x,z+1/2", "-x,-y,-z", "y,-x-1/2,-z-1/2", "x-1/2,y-1/2,-z", "-y-1/2,x,-z-1/2"], "universal_h_m": "P 42/n :2", "number": 86, "schoenflies": "C4h^4", "hall": "-P 4bc", "hermann_mauguin": "P 42/n", "ncsym": ["x,y,z", "-y,x+1/2,z+1/2", "-x+1/2,-y+1/2,z", "y+1/2,-x,z+1/2", "-x,-y,-z", "y,-x-1/2,-z-1/2", "x-1/2,y-1/2,-z", "-y-1/2,x,-z-1/2"], "short_h_m": "P4_2/n", "hermann_mauguin_u": "P4_2/n", "point_group": "4/m"}, {"symops": ["x,y,z", "-y,x,z", "-x,-y,z", "y,-x,z", "-x,-y,-z", "y,-x,-z", "x,y,-z", "-y,x,-z", "x+1/2,y+1/2,z+1/2", "-y+1/2,x+1/2,z+1/2", "-x+1/2,-y+1/2,z+1/2", "y+1/2,-x+1/2,z+1/2", "-x+1/2,-y+1/2,-z+1/2", "y+1/2,-x+1/2,-z+1/2", "x+1/2,y+1/2,-z+1/2", "-y+1/2,x+1/2,-z+1/2"], "universal_h_m": "I 4/m", "number": 87, "schoenflies": "C4h^5", "hall": "-I 4", "hermann_mauguin": "I 4/m", "ncsym": ["x,y,z", "-y,x,z", "-x,-y,z", "y,-x,z", "-x,-y,-z", "y,-x,-z", "x,y,-z", "-y,x,-z"], "short_h_m": "I4/m", "hermann_mauguin_u": "I4/m", "point_group": "4/m"}, {"symops": ["x,y,z", "-y,x+1/2,z+1/4", "-x+1/2,-y+1/2,z+1/2", "y+1/2,-x,z+3/4", "-x,-y+1/2,-z+1/4", "y,-x,-z", "x-1/2,y,-z-1/4", "-y-1/2,x+1/2,-z-1/2", "x+1/2,y+1/2,z+1/2", "-y+1/2,x+1,z+3/4", "-x+1,-y+1,z+1", "y+1,-x+1/2,z+5/4", "-x+1/2,-y+1,-z+3/4", "y+1/2,-x+1/2,-z+1/2", "x,y+1/2,-z+1/4", "-y,x+1,-z"], "universal_h_m": "I 41/a :1", "number": 88, "schoenflies": "C4h^6", "hall": " I 4bw -1bw", "hermann_mauguin": "I 41/a", "ncsym": ["x,y,z", "-y,x+1/2,z+1/4", "-x+1/2,-y+1/2,z+1/2", "y+1/2,-x,z+3/4", "-x,-y+1/2,-z+1/4", "y,-x,-z", "x-1/2,y,-z-1/4", "-y-1/2,x+1/2,-z-1/2"], "short_h_m": "I4_1/a", "hermann_mauguin_u": "I4_1/a", "point_group": "4/m"}, {"symops": ["x,y,z", "-y+3/4,x+1/4,z+1/4", "-x+1/2,-y,z+1/2", "y+3/4,-x+3/4,z+3/4", "-x,-y,-z", "y-3/4,-x-1/4,-z-1/4", "x-1/2,y,-z-1/2", "-y-3/4,x-3/4,-z-3/4", "x+1/2,y+1/2,z+1/2", "-y+5/4,x+3/4,z+3/4", "-x+1,-y+1/2,z+1", "y+5/4,-x+5/4,z+5/4", "-x+1/2,-y+1/2,-z+1/2", "y-1/4,-x+1/4,-z+1/4", "x,y+1/2,-z", "-y-1/4,x-1/4,-z-1/4"], "universal_h_m": "I 41/a :2", "number": 88, "schoenflies": "C4h^6", "hall": "-I 4ad", "hermann_mauguin": "I 41/a", "ncsym": ["x,y,z", "-y+3/4,x+1/4,z+1/4", "-x+1/2,-y,z+1/2", "y+3/4,-x+3/4,z+3/4", "-x,-y,-z", "y-3/4,-x-1/4,-z-1/4", "x-1/2,y,-z-1/2", "-y-3/4,x-3/4,-z-3/4"], "short_h_m": "I4_1/a", "hermann_mauguin_u": "I4_1/a", "point_group": "4/m"}, {"symops": ["x,y,z", "-y,x,z", "-x,-y,z", "y,-x,z", "x,-y,-z", "y,x,-z", "-x,y,-z", "-y,-x,-z"], "universal_h_m": "P 4 2 2", "number": 89, "schoenflies": "D4^1", "hall": " P 4 2", "hermann_mauguin": "P 4 2 2", "ncsym": ["x,y,z", "-y,x,z", "-x,-y,z", "y,-x,z", "x,-y,-z", "y,x,-z", "-x,y,-z", "-y,-x,-z"], "short_h_m": "P422", "hermann_mauguin_u": "P422", "point_group": "422"}, {"symops": ["x,y,z", "-y+1/2,x+1/2,z", "-x,-y,z", "y+1/2,-x+1/2,z", "x+1/2,-y+1/2,-z", "y,x,-z", "-x+1/2,y+1/2,-z", "-y,-x,-z"], "universal_h_m": "P 4 21 2", "number": 90, "schoenflies": "D4^2", "hall": " P 4ab 2ab", "hermann_mauguin": "P 4 21 2", "ncsym": ["x,y,z", "-y+1/2,x+1/2,z", "-x,-y,z", "y+1/2,-x+1/2,z", "x+1/2,-y+1/2,-z", "y,x,-z", "-x+1/2,y+1/2,-z", "-y,-x,-z"], "short_h_m": "P42_12", "hermann_mauguin_u": "P42_12", "point_group": "422"}, {"symops": ["x,y,z", "-y,x,z+1/4", "-x,-y,z+1/2", "y,-x,z+3/4", "x,-y,-z+1/2", "y,x,-z+3/4", "-x,y,-z", "-y,-x,-z+1/4"], "universal_h_m": "P 41 2 2", "number": 91, "schoenflies": "D4^3", "hall": " P 4w 2c", "hermann_mauguin": "P 41 2 2", "ncsym": ["x,y,z", "-y,x,z+1/4", "-x,-y,z+1/2", "y,-x,z+3/4", "x,-y,-z+1/2", "y,x,-z+3/4", "-x,y,-z", "-y,-x,-z+1/4"], "short_h_m": "P4_122", "hermann_mauguin_u": "P4_122", "point_group": "422"}, {"symops": ["x,y,z", "-y+1/2,x+1/2,z+1/4", "-x,-y,z+1/2", "y+1/2,-x+1/2,z+3/4", "x+1/2,-y+1/2,-z+3/4", "y,x,-z", "-x+1/2,y+1/2,-z+1/4", "-y,-x,-z+1/2"], "universal_h_m": "P 41 21 2", "number": 92, "schoenflies": "D4^4", "hall": " P 4abw 2nw", "hermann_mauguin": "P 41 21 2", "ncsym": ["x,y,z", "-y+1/2,x+1/2,z+1/4", "-x,-y,z+1/2", "y+1/2,-x+1/2,z+3/4", "x+1/2,-y+1/2,-z+3/4", "y,x,-z", "-x+1/2,y+1/2,-z+1/4", "-y,-x,-z+1/2"], "short_h_m": "P4_12_12", "hermann_mauguin_u": "P4_12_12", "point_group": "422"}, {"symops": ["x,y,z", "-y,x,z+1/2", "-x,-y,z", "y,-x,z+1/2", "x,-y,-z", "y,x,-z+1/2", "-x,y,-z", "-y,-x,-z+1/2"], "universal_h_m": "P 42 2 2", "number": 93, "schoenflies": "D4^5", "hall": " P 4c 2", "hermann_mauguin": "P 42 2 2", "ncsym": ["x,y,z", "-y,x,z+1/2", "-x,-y,z", "y,-x,z+1/2", "x,-y,-z", "y,x,-z+1/2", "-x,y,-z", "-y,-x,-z+1/2"], "short_h_m": "P4_222", "hermann_mauguin_u": "P4_222", "point_group": "422"}, {"symops": ["x,y,z", "-y+1/2,x+1/2,z+1/2", "-x,-y,z", "y+1/2,-x+1/2,z+1/2", "x+1/2,-y+1/2,-z+1/2", "y,x,-z", "-x+1/2,y+1/2,-z+1/2", "-y,-x,-z"], "universal_h_m": "P 42 21 2", "number": 94, "schoenflies": "D4^6", "hall": " P 4n 2n", "hermann_mauguin": "P 42 21 2", "ncsym": ["x,y,z", "-y+1/2,x+1/2,z+1/2", "-x,-y,z", "y+1/2,-x+1/2,z+1/2", "x+1/2,-y+1/2,-z+1/2", "y,x,-z", "-x+1/2,y+1/2,-z+1/2", "-y,-x,-z"], "short_h_m": "P4_22_12", "hermann_mauguin_u": "P4_22_12", "point_group": "422"}, {"symops": ["x,y,z", "-y,x,z+3/4", "-x,-y,z+1/2", "y,-x,z+1/4", "x,-y,-z+1/2", "y,x,-z+1/4", "-x,y,-z", "-y,-x,-z+3/4"], "universal_h_m": "P 43 2 2", "number": 95, "schoenflies": "D4^7", "hall": " P 4cw 2c", "hermann_mauguin": "P 43 2 2", "ncsym": ["x,y,z", "-y,x,z+3/4", "-x,-y,z+1/2", "y,-x,z+1/4", "x,-y,-z+1/2", "y,x,-z+1/4", "-x,y,-z", "-y,-x,-z+3/4"], "short_h_m": "P4_322", "hermann_mauguin_u": "P4_322", "point_group": "422"}, {"symops": ["x,y,z", "-y+1/2,x+1/2,z+3/4", "-x,-y,z+1/2", "y+1/2,-x+1/2,z+1/4", "x+1/2,-y+1/2,-z+1/4", "y,x,-z", "-x+1/2,y+1/2,-z+3/4", "-y,-x,-z+1/2"], "universal_h_m": "P 43 21 2", "number": 96, "schoenflies": "D4^8", "hall": " P 4nw 2abw", "hermann_mauguin": "P 43 21 2", "ncsym": ["x,y,z", "-y+1/2,x+1/2,z+3/4", "-x,-y,z+1/2", "y+1/2,-x+1/2,z+1/4", "x+1/2,-y+1/2,-z+1/4", "y,x,-z", "-x+1/2,y+1/2,-z+3/4", "-y,-x,-z+1/2"], "short_h_m": "P4_32_12", "hermann_mauguin_u": "P4_32_12", "point_group": "422"}, {"symops": ["x,y,z", "-y,x,z", "-x,-y,z", "y,-x,z", "x,-y,-z", "y,x,-z", "-x,y,-z", "-y,-x,-z", "x+1/2,y+1/2,z+1/2", "-y+1/2,x+1/2,z+1/2", "-x+1/2,-y+1/2,z+1/2", "y+1/2,-x+1/2,z+1/2", "x+1/2,-y+1/2,-z+1/2", "y+1/2,x+1/2,-z+1/2", "-x+1/2,y+1/2,-z+1/2", "-y+1/2,-x+1/2,-z+1/2"], "universal_h_m": "I 4 2 2", "number": 97, "schoenflies": "D4^9", "hall": " I 4 2", "hermann_mauguin": "I 4 2 2", "ncsym": ["x,y,z", "-y,x,z", "-x,-y,z", "y,-x,z", "x,-y,-z", "y,x,-z", "-x,y,-z", "-y,-x,-z"], "short_h_m": "I422", "hermann_mauguin_u": "I422", "point_group": "422"}, {"symops": ["x,y,z", "-y,x+1/2,z+1/4", "-x+1/2,-y+1/2,z+1/2", "y+1/2,-x,z+3/4", "x,-y+1/2,-z+1/4", "y+1/2,x+1/2,-z+1/2", "-x+1/2,y,-z+3/4", "-y,-x,-z", "x+1/2,y+1/2,z+1/2", "-y+1/2,x+1,z+3/4", "-x+1,-y+1,z+1", "y+1,-x+1/2,z+5/4", "x+1/2,-y+1,-z+3/4", "y+1,x+1,-z+1", "-x+1,y+1/2,-z+5/4", "-y+1/2,-x+1/2,-z+1/2"], "universal_h_m": "I 41 2 2", "number": 98, "schoenflies": "D4^10", "hall": " I 4bw 2bw", "hermann_mauguin": "I 41 2 2", "ncsym": ["x,y,z", "-y,x+1/2,z+1/4", "-x+1/2,-y+1/2,z+1/2", "y+1/2,-x,z+3/4", "x,-y+1/2,-z+1/4", "y+1/2,x+1/2,-z+1/2", "-x+1/2,y,-z+3/4", "-y,-x,-z"], "short_h_m": "I4_122", "hermann_mauguin_u": "I4_122", "point_group": "422"}, {"symops": ["x,y,z", "-y,x,z", "-x,-y,z", "y,-x,z", "-x,y,z", "-y,-x,z", "x,-y,z", "y,x,z"], "universal_h_m": "P 4 m m", "number": 99, "schoenflies": "C4v^1", "hall": " P 4 -2", "hermann_mauguin": "P 4 m m", "ncsym": ["x,y,z", "-y,x,z", "-x,-y,z", "y,-x,z", "-x,y,z", "-y,-x,z", "x,-y,z", "y,x,z"], "short_h_m": "P4mm", "hermann_mauguin_u": "P4mm", "point_group": "4mm"}, {"symops": ["x,y,z", "-y,x,z", "-x,-y,z", "y,-x,z", "-x+1/2,y+1/2,z", "-y+1/2,-x+1/2,z", "x+1/2,-y+1/2,z", "y+1/2,x+1/2,z"], "universal_h_m": "P 4 b m", "number": 100, "schoenflies": "C4v^2", "hall": " P 4 -2ab", "hermann_mauguin": "P 4 b m", "ncsym": ["x,y,z", "-y,x,z", "-x,-y,z", "y,-x,z", "-x+1/2,y+1/2,z", "-y+1/2,-x+1/2,z", "x+1/2,-y+1/2,z", "y+1/2,x+1/2,z"], "short_h_m": "P4bm", "hermann_mauguin_u": "P4bm", "point_group": "4mm"}, {"symops": ["x,y,z", "-y,x,z+1/2", "-x,-y,z", "y,-x,z+1/2", "-x,y,z+1/2", "-y,-x,z", "x,-y,z+1/2", "y,x,z"], "universal_h_m": "P 42 c m", "number": 101, "schoenflies": "C4v^3", "hall": " P 4c -2c", "hermann_mauguin": "P 42 c m", "ncsym": ["x,y,z", "-y,x,z+1/2", "-x,-y,z", "y,-x,z+1/2", "-x,y,z+1/2", "-y,-x,z", "x,-y,z+1/2", "y,x,z"], "short_h_m": "P4_2cm", "hermann_mauguin_u": "P4_2cm", "point_group": "4mm"}, {"symops": ["x,y,z", "-y+1/2,x+1/2,z+1/2", "-x,-y,z", "y+1/2,-x+1/2,z+1/2", "-x+1/2,y+1/2,z+1/2", "-y,-x,z", "x+1/2,-y+1/2,z+1/2", "y,x,z"], "universal_h_m": "P 42 n m", "number": 102, "schoenflies": "C4v^4", "hall": " P 4n -2n", "hermann_mauguin": "P 42 n m", "ncsym": ["x,y,z", "-y+1/2,x+1/2,z+1/2", "-x,-y,z", "y+1/2,-x+1/2,z+1/2", "-x+1/2,y+1/2,z+1/2", "-y,-x,z", "x+1/2,-y+1/2,z+1/2", "y,x,z"], "short_h_m": "P4_2nm", "hermann_mauguin_u": "P4_2nm", "point_group": "4mm"}, {"symops": ["x,y,z", "-y,x,z", "-x,-y,z", "y,-x,z", "-x,y,z+1/2", "-y,-x,z+1/2", "x,-y,z+1/2", "y,x,z+1/2"], "universal_h_m": "P 4 c c", "number": 103, "schoenflies": "C4v^5", "hall": " P 4 -2c", "hermann_mauguin": "P 4 c c", "ncsym": ["x,y,z", "-y,x,z", "-x,-y,z", "y,-x,z", "-x,y,z+1/2", "-y,-x,z+1/2", "x,-y,z+1/2", "y,x,z+1/2"], "short_h_m": "P4cc", "hermann_mauguin_u": "P4cc", "point_group": "4mm"}, {"symops": ["x,y,z", "-y,x,z", "-x,-y,z", "y,-x,z", "-x+1/2,y+1/2,z+1/2", "-y+1/2,-x+1/2,z+1/2", "x+1/2,-y+1/2,z+1/2", "y+1/2,x+1/2,z+1/2"], "universal_h_m": "P 4 n c", "number": 104, "schoenflies": "C4v^6", "hall": " P 4 -2n", "hermann_mauguin": "P 4 n c", "ncsym": ["x,y,z", "-y,x,z", "-x,-y,z", "y,-x,z", "-x+1/2,y+1/2,z+1/2", "-y+1/2,-x+1/2,z+1/2", "x+1/2,-y+1/2,z+1/2", "y+1/2,x+1/2,z+1/2"], "short_h_m": "P4nc", "hermann_mauguin_u": "P4nc", "point_group": "4mm"}, {"symops": ["x,y,z", "-y,x,z+1/2", "-x,-y,z", "y,-x,z+1/2", "-x,y,z", "-y,-x,z+1/2", "x,-y,z", "y,x,z+1/2"], "universal_h_m": "P 42 m c", "number": 105, "schoenflies": "C4v^7", "hall": " P 4c -2", "hermann_mauguin": "P 42 m c", "ncsym": ["x,y,z", "-y,x,z+1/2", "-x,-y,z", "y,-x,z+1/2", "-x,y,z", "-y,-x,z+1/2", "x,-y,z", "y,x,z+1/2"], "short_h_m": "P4_2mc", "hermann_mauguin_u": "P4_2mc", "point_group": "4mm"}, {"symops": ["x,y,z", "-y,x,z+1/2", "-x,-y,z", "y,-x,z+1/2", "-x+1/2,y+1/2,z", "-y+1/2,-x+1/2,z+1/2", "x+1/2,-y+1/2,z", "y+1/2,x+1/2,z+1/2"], "universal_h_m": "P 42 b c", "number": 106, "schoenflies": "C4v^8", "hall": " P 4c -2ab", "hermann_mauguin": "P 42 b c", "ncsym": ["x,y,z", "-y,x,z+1/2", "-x,-y,z", "y,-x,z+1/2", "-x+1/2,y+1/2,z", "-y+1/2,-x+1/2,z+1/2", "x+1/2,-y+1/2,z", "y+1/2,x+1/2,z+1/2"], "short_h_m": "P4_2bc", "hermann_mauguin_u": "P4_2bc", "point_group": "4mm"}, {"symops": ["x,y,z", "-y,x,z", "-x,-y,z", "y,-x,z", "-x,y,z", "-y,-x,z", "x,-y,z", "y,x,z", "x+1/2,y+1/2,z+1/2", "-y+1/2,x+1/2,z+1/2", "-x+1/2,-y+1/2,z+1/2", "y+1/2,-x+1/2,z+1/2", "-x+1/2,y+1/2,z+1/2", "-y+1/2,-x+1/2,z+1/2", "x+1/2,-y+1/2,z+1/2", "y+1/2,x+1/2,z+1/2"], "universal_h_m": "I 4 m m", "number": 107, "schoenflies": "C4v^9", "hall": " I 4 -2", "hermann_mauguin": "I 4 m m", "ncsym": ["x,y,z", "-y,x,z", "-x,-y,z", "y,-x,z", "-x,y,z", "-y,-x,z", "x,-y,z", "y,x,z"], "short_h_m": "I4mm", "hermann_mauguin_u": "I4mm", "point_group": "4mm"}, {"symops": ["x,y,z", "-y,x,z", "-x,-y,z", "y,-x,z", "-x,y,z+1/2", "-y,-x,z+1/2", "x,-y,z+1/2", "y,x,z+1/2", "x+1/2,y+1/2,z+1/2", "-y+1/2,x+1/2,z+1/2", "-x+1/2,-y+1/2,z+1/2", "y+1/2,-x+1/2,z+1/2", "-x+1/2,y+1/2,z+1", "-y+1/2,-x+1/2,z+1", "x+1/2,-y+1/2,z+1", "y+1/2,x+1/2,z+1"], "universal_h_m": "I 4 c m", "number": 108, "schoenflies": "C4v^10", "hall": " I 4 -2c", "hermann_mauguin": "I 4 c m", "ncsym": ["x,y,z", "-y,x,z", "-x,-y,z", "y,-x,z", "-x,y,z+1/2", "-y,-x,z+1/2", "x,-y,z+1/2", "y,x,z+1/2"], "short_h_m": "I4cm", "hermann_mauguin_u": "I4cm", "point_group": "4mm"}, {"symops": ["x,y,z", "-y,x+1/2,z+1/4", "-x+1/2,-y+1/2,z+1/2", "y+1/2,-x,z+3/4", "-x,y,z", "-y,-x+1/2,z+1/4", "x+1/2,-y+1/2,z+1/2", "y+1/2,x,z+3/4", "x+1/2,y+1/2,z+1/2", "-y+1/2,x+1,z+3/4", "-x+1,-y+1,z+1", "y+1,-x+1/2,z+5/4", "-x+1/2,y+1/2,z+1/2", "-y+1/2,-x+1,z+3/4", "x+1,-y+1,z+1", "y+1,x+1/2,z+5/4"], "universal_h_m": "I 41 m d", "number": 109, "schoenflies": "C4v^11", "hall": " I 4bw -2", "hermann_mauguin": "I 41 m d", "ncsym": ["x,y,z", "-y,x+1/2,z+1/4", "-x+1/2,-y+1/2,z+1/2", "y+1/2,-x,z+3/4", "-x,y,z", "-y,-x+1/2,z+1/4", "x+1/2,-y+1/2,z+1/2", "y+1/2,x,z+3/4"], "short_h_m": "I4_1md", "hermann_mauguin_u": "I4_1md", "point_group": "4mm"}, {"symops": ["x,y,z", "-y,x+1/2,z+1/4", "-x+1/2,-y+1/2,z+1/2", "y+1/2,-x,z+3/4", "-x,y,z+1/2", "-y,-x+1/2,z+3/4", "x+1/2,-y+1/2,z", "y+1/2,x,z+1/4", "x+1/2,y+1/2,z+1/2", "-y+1/2,x+1,z+3/4", "-x+1,-y+1,z+1", "y+1,-x+1/2,z+5/4", "-x+1/2,y+1/2,z+1", "-y+1/2,-x+1,z+5/4", "x+1,-y+1,z+1/2", "y+1,x+1/2,z+3/4"], "universal_h_m": "I 41 c d", "number": 110, "schoenflies": "C4v^12", "hall": " I 4bw -2c", "hermann_mauguin": "I 41 c d", "ncsym": ["x,y,z", "-y,x+1/2,z+1/4", "-x+1/2,-y+1/2,z+1/2", "y+1/2,-x,z+3/4", "-x,y,z+1/2", "-y,-x+1/2,z+3/4", "x+1/2,-y+1/2,z", "y+1/2,x,z+1/4"], "short_h_m": "I4_1cd", "hermann_mauguin_u": "I4_1cd", "point_group": "4mm"}, {"symops": ["x,y,z", "y,-x,-z", "-x,-y,z", "-y,x,-z", "x,-y,-z", "-y,-x,z", "-x,y,-z", "y,x,z"], "universal_h_m": "P -4 2 m", "number": 111, "schoenflies": "D2d^1", "hall": " P -4 2", "hermann_mauguin": "P -4 2 m", "ncsym": ["x,y,z", "y,-x,-z", "-x,-y,z", "-y,x,-z", "x,-y,-z", "-y,-x,z", "-x,y,-z", "y,x,z"], "short_h_m": "P-42m", "hermann_mauguin_u": "P-42m", "point_group": "-42m"}, {"symops": ["x,y,z", "y,-x,-z", "-x,-y,z", "-y,x,-z", "x,-y,-z+1/2", "-y,-x,z+1/2", "-x,y,-z+1/2", "y,x,z+1/2"], "universal_h_m": "P -4 2 c", "number": 112, "schoenflies": "D2d^2", "hall": " P -4 2c", "hermann_mauguin": "P -4 2 c", "ncsym": ["x,y,z", "y,-x,-z", "-x,-y,z", "-y,x,-z", "x,-y,-z+1/2", "-y,-x,z+1/2", "-x,y,-z+1/2", "y,x,z+1/2"], "short_h_m": "P-42c", "hermann_mauguin_u": "P-42c", "point_group": "-42m"}, {"symops": ["x,y,z", "y,-x,-z", "-x,-y,z", "-y,x,-z", "x+1/2,-y+1/2,-z", "-y+1/2,-x+1/2,z", "-x+1/2,y+1/2,-z", "y+1/2,x+1/2,z"], "universal_h_m": "P -4 21 m", "number": 113, "schoenflies": "D2d^3", "hall": " P -4 2ab", "hermann_mauguin": "P -4 21 m", "ncsym": ["x,y,z", "y,-x,-z", "-x,-y,z", "-y,x,-z", "x+1/2,-y+1/2,-z", "-y+1/2,-x+1/2,z", "-x+1/2,y+1/2,-z", "y+1/2,x+1/2,z"], "short_h_m": "P-42_1m", "hermann_mauguin_u": "P-42_1m", "point_group": "-42m"}, {"symops": ["x,y,z", "y,-x,-z", "-x,-y,z", "-y,x,-z", "x+1/2,-y+1/2,-z+1/2", "-y+1/2,-x+1/2,z+1/2", "-x+1/2,y+1/2,-z+1/2", "y+1/2,x+1/2,z+1/2"], "universal_h_m": "P -4 21 c", "number": 114, "schoenflies": "D2d^4", "hall": " P -4 2n", "hermann_mauguin": "P -4 21 c", "ncsym": ["x,y,z", "y,-x,-z", "-x,-y,z", "-y,x,-z", "x+1/2,-y+1/2,-z+1/2", "-y+1/2,-x+1/2,z+1/2", "-x+1/2,y+1/2,-z+1/2", "y+1/2,x+1/2,z+1/2"], "short_h_m": "P-42_1c", "hermann_mauguin_u": "P-42_1c", "point_group": "-42m"}, {"symops": ["x,y,z", "y,-x,-z", "-x,-y,z", "-y,x,-z", "-x,y,z", "y,x,-z", "x,-y,z", "-y,-x,-z"], "universal_h_m": "P -4 m 2", "number": 115, "schoenflies": "D2d^5", "hall": " P -4 -2", "hermann_mauguin": "P -4 m 2", "ncsym": ["x,y,z", "y,-x,-z", "-x,-y,z", "-y,x,-z", "-x,y,z", "y,x,-z", "x,-y,z", "-y,-x,-z"], "short_h_m": "P-4m2", "hermann_mauguin_u": "P-4m2", "point_group": "-42m"}, {"symops": ["x,y,z", "y,-x,-z", "-x,-y,z", "-y,x,-z", "-x,y,z+1/2", "y,x,-z+1/2", "x,-y,z+1/2", "-y,-x,-z+1/2"], "universal_h_m": "P -4 c 2", "number": 116, "schoenflies": "D2d^6", "hall": " P -4 -2c", "hermann_mauguin": "P -4 c 2", "ncsym": ["x,y,z", "y,-x,-z", "-x,-y,z", "-y,x,-z", "-x,y,z+1/2", "y,x,-z+1/2", "x,-y,z+1/2", "-y,-x,-z+1/2"], "short_h_m": "P-4c2", "hermann_mauguin_u": "P-4c2", "point_group": "-42m"}, {"symops": ["x,y,z", "y,-x,-z", "-x,-y,z", "-y,x,-z", "-x+1/2,y+1/2,z", "y+1/2,x+1/2,-z", "x+1/2,-y+1/2,z", "-y+1/2,-x+1/2,-z"], "universal_h_m": "P -4 b 2", "number": 117, "schoenflies": "D2d^7", "hall": " P -4 -2ab", "hermann_mauguin": "P -4 b 2", "ncsym": ["x,y,z", "y,-x,-z", "-x,-y,z", "-y,x,-z", "-x+1/2,y+1/2,z", "y+1/2,x+1/2,-z", "x+1/2,-y+1/2,z", "-y+1/2,-x+1/2,-z"], "short_h_m": "P-4b2", "hermann_mauguin_u": "P-4b2", "point_group": "-42m"}, {"symops": ["x,y,z", "y,-x,-z", "-x,-y,z", "-y,x,-z", "-x+1/2,y+1/2,z+1/2", "y+1/2,x+1/2,-z+1/2", "x+1/2,-y+1/2,z+1/2", "-y+1/2,-x+1/2,-z+1/2"], "universal_h_m": "P -4 n 2", "number": 118, "schoenflies": "D2d^8", "hall": " P -4 -2n", "hermann_mauguin": "P -4 n 2", "ncsym": ["x,y,z", "y,-x,-z", "-x,-y,z", "-y,x,-z", "-x+1/2,y+1/2,z+1/2", "y+1/2,x+1/2,-z+1/2", "x+1/2,-y+1/2,z+1/2", "-y+1/2,-x+1/2,-z+1/2"], "short_h_m": "P-4n2", "hermann_mauguin_u": "P-4n2", "point_group": "-42m"}, {"symops": ["x,y,z", "y,-x,-z", "-x,-y,z", "-y,x,-z", "-x,y,z", "y,x,-z", "x,-y,z", "-y,-x,-z", "x+1/2,y+1/2,z+1/2", "y+1/2,-x+1/2,-z+1/2", "-x+1/2,-y+1/2,z+1/2", "-y+1/2,x+1/2,-z+1/2", "-x+1/2,y+1/2,z+1/2", "y+1/2,x+1/2,-z+1/2", "x+1/2,-y+1/2,z+1/2", "-y+1/2,-x+1/2,-z+1/2"], "universal_h_m": "I -4 m 2", "number": 119, "schoenflies": "D2d^9", "hall": " I -4 -2", "hermann_mauguin": "I -4 m 2", "ncsym": ["x,y,z", "y,-x,-z", "-x,-y,z", "-y,x,-z", "-x,y,z", "y,x,-z", "x,-y,z", "-y,-x,-z"], "short_h_m": "I-4m2", "hermann_mauguin_u": "I-4m2", "point_group": "-42m"}, {"symops": ["x,y,z", "y,-x,-z", "-x,-y,z", "-y,x,-z", "-x,y,z+1/2", "y,x,-z+1/2", "x,-y,z+1/2", "-y,-x,-z+1/2", "x+1/2,y+1/2,z+1/2", "y+1/2,-x+1/2,-z+1/2", "-x+1/2,-y+1/2,z+1/2", "-y+1/2,x+1/2,-z+1/2", "-x+1/2,y+1/2,z+1", "y+1/2,x+1/2,-z+1", "x+1/2,-y+1/2,z+1", "-y+1/2,-x+1/2,-z+1"], "universal_h_m": "I -4 c 2", "number": 120, "schoenflies": "D2d^10", "hall": " I -4 -2c", "hermann_mauguin": "I -4 c 2", "ncsym": ["x,y,z", "y,-x,-z", "-x,-y,z", "-y,x,-z", "-x,y,z+1/2", "y,x,-z+1/2", "x,-y,z+1/2", "-y,-x,-z+1/2"], "short_h_m": "I-4c2", "hermann_mauguin_u": "I-4c2", "point_group": "-42m"}, {"symops": ["x,y,z", "y,-x,-z", "-x,-y,z", "-y,x,-z", "x,-y,-z", "-y,-x,z", "-x,y,-z", "y,x,z", "x+1/2,y+1/2,z+1/2", "y+1/2,-x+1/2,-z+1/2", "-x+1/2,-y+1/2,z+1/2", "-y+1/2,x+1/2,-z+1/2", "x+1/2,-y+1/2,-z+1/2", "-y+1/2,-x+1/2,z+1/2", "-x+1/2,y+1/2,-z+1/2", "y+1/2,x+1/2,z+1/2"], "universal_h_m": "I -4 2 m", "number": 121, "schoenflies": "D2d^11", "hall": " I -4 2", "hermann_mauguin": "I -4 2 m", "ncsym": ["x,y,z", "y,-x,-z", "-x,-y,z", "-y,x,-z", "x,-y,-z", "-y,-x,z", "-x,y,-z", "y,x,z"], "short_h_m": "I-42m", "hermann_mauguin_u": "I-42m", "point_group": "-42m"}, {"symops": ["x,y,z", "y,-x,-z", "-x,-y,z", "-y,x,-z", "x,-y+1/2,-z+1/4", "-y+1/2,-x,z+3/4", "-x,y+1/2,-z+1/4", "y+1/2,x,z+3/4", "x+1/2,y+1/2,z+1/2", "y+1/2,-x+1/2,-z+1/2", "-x+1/2,-y+1/2,z+1/2", "-y+1/2,x+1/2,-z+1/2", "x+1/2,-y+1,-z+3/4", "-y+1,-x+1/2,z+5/4", "-x+1/2,y+1,-z+3/4", "y+1,x+1/2,z+5/4"], "universal_h_m": "I -4 2 d", "number": 122, "schoenflies": "D2d^12", "hall": " I -4 2bw", "hermann_mauguin": "I -4 2 d", "ncsym": ["x,y,z", "y,-x,-z", "-x,-y,z", "-y,x,-z", "x,-y+1/2,-z+1/4", "-y+1/2,-x,z+3/4", "-x,y+1/2,-z+1/4", "y+1/2,x,z+3/4"], "short_h_m": "I-42d", "hermann_mauguin_u": "I-42d", "point_group": "-42m"}, {"symops": ["x,y,z", "-y,x,z", "-x,-y,z", "y,-x,z", "x,-y,-z", "y,x,-z", "-x,y,-z", "-y,-x,-z", "-x,-y,-z", "y,-x,-z", "x,y,-z", "-y,x,-z", "-x,y,z", "-y,-x,z", "x,-y,z", "y,x,z"], "universal_h_m": "P 4/m m m", "number": 123, "schoenflies": "D4h^1", "hall": "-P 4 2", "hermann_mauguin": "P 4/m m m", "ncsym": ["x,y,z", "-y,x,z", "-x,-y,z", "y,-x,z", "x,-y,-z", "y,x,-z", "-x,y,-z", "-y,-x,-z", "-x,-y,-z", "y,-x,-z", "x,y,-z", "-y,x,-z", "-x,y,z", "-y,-x,z", "x,-y,z", "y,x,z"], "short_h_m": "P4/mmm", "hermann_mauguin_u": "P4/mmm", "point_group": "4/mmm"}, {"symops": ["x,y,z", "-y,x,z", "-x,-y,z", "y,-x,z", "x,-y,-z+1/2", "y,x,-z+1/2", "-x,y,-z+1/2", "-y,-x,-z+1/2", "-x,-y,-z", "y,-x,-z", "x,y,-z", "-y,x,-z", "-x,y,z-1/2", "-y,-x,z-1/2", "x,-y,z-1/2", "y,x,z-1/2"], "universal_h_m": "P 4/m c c", "number": 124, "schoenflies": "D4h^2", "hall": "-P 4 2c", "hermann_mauguin": "P 4/m c c", "ncsym": ["x,y,z", "-y,x,z", "-x,-y,z", "y,-x,z", "x,-y,-z+1/2", "y,x,-z+1/2", "-x,y,-z+1/2", "-y,-x,-z+1/2", "-x,-y,-z", "y,-x,-z", "x,y,-z", "-y,x,-z", "-x,y,z-1/2", "-y,-x,z-1/2", "x,-y,z-1/2", "y,x,z-1/2"], "short_h_m": "P4/mcc", "hermann_mauguin_u": "P4/mcc", "point_group": "4/mmm"}, {"symops": ["x,y,z", "-y,x,z", "-x,-y,z", "y,-x,z", "x,-y,-z", "y,x,-z", "-x,y,-z", "-y,-x,-z", "-x+1/2,-y+1/2,-z", "y+1/2,-x+1/2,-z", "x+1/2,y+1/2,-z", "-y+1/2,x+1/2,-z", "-x+1/2,y+1/2,z", "-y+1/2,-x+1/2,z", "x+1/2,-y+1/2,z", "y+1/2,x+1/2,z"], "universal_h_m": "P 4/n b m :1", "number": 125, "schoenflies": "D4h^3", "hall": " P 4 2 -1ab", "hermann_mauguin": "P 4/n b m", "ncsym": ["x,y,z", "-y,x,z", "-x,-y,z", "y,-x,z", "x,-y,-z", "y,x,-z", "-x,y,-z", "-y,-x,-z", "-x+1/2,-y+1/2,-z", "y+1/2,-x+1/2,-z", "x+1/2,y+1/2,-z", "-y+1/2,x+1/2,-z", "-x+1/2,y+1/2,z", "-y+1/2,-x+1/2,z", "x+1/2,-y+1/2,z", "y+1/2,x+1/2,z"], "short_h_m": "P4/nbm", "hermann_mauguin_u": "P4/nbm", "point_group": "4/mmm"}, {"symops": ["x,y,z", "-y+1/2,x,z", "-x+1/2,-y+1/2,z", "y,-x+1/2,z", "x,-y+1/2,-z", "y,x,-z", "-x+1/2,y,-z", "-y+1/2,-x+1/2,-z", "-x,-y,-z", "y-1/2,-x,-z", "x-1/2,y-1/2,-z", "-y,x-1/2,-z", "-x,y-1/2,z", "-y,-x,z", "x-1/2,-y,z", "y-1/2,x-1/2,z"], "universal_h_m": "P 4/n b m :2", "number": 125, "schoenflies": "D4h^3", "hall": "-P 4a 2b", "hermann_mauguin": "P 4/n b m", "ncsym": ["x,y,z", "-y+1/2,x,z", "-x+1/2,-y+1/2,z", "y,-x+1/2,z", "x,-y+1/2,-z", "y,x,-z", "-x+1/2,y,-z", "-y+1/2,-x+1/2,-z", "-x,-y,-z", "y-1/2,-x,-z", "x-1/2,y-1/2,-z", "-y,x-1/2,-z", "-x,y-1/2,z", "-y,-x,z", "x-1/2,-y,z", "y-1/2,x-1/2,z"], "short_h_m": "P4/nbm", "hermann_mauguin_u": "P4/nbm", "point_group": "4/mmm"}, {"symops": ["x,y,z", "-y,x,z", "-x,-y,z", "y,-x,z", "x,-y,-z", "y,x,-z", "-x,y,-z", "-y,-x,-z", "-x+1/2,-y+1/2,-z+1/2", "y+1/2,-x+1/2,-z+1/2", "x+1/2,y+1/2,-z+1/2", "-y+1/2,x+1/2,-z+1/2", "-x+1/2,y+1/2,z+1/2", "-y+1/2,-x+1/2,z+1/2", "x+1/2,-y+1/2,z+1/2", "y+1/2,x+1/2,z+1/2"], "universal_h_m": "P 4/n n c :1", "number": 126, "schoenflies": "D4h^4", "hall": " P 4 2 -1n", "hermann_mauguin": "P 4/n n c", "ncsym": ["x,y,z", "-y,x,z", "-x,-y,z", "y,-x,z", "x,-y,-z", "y,x,-z", "-x,y,-z", "-y,-x,-z", "-x+1/2,-y+1/2,-z+1/2", "y+1/2,-x+1/2,-z+1/2", "x+1/2,y+1/2,-z+1/2", "-y+1/2,x+1/2,-z+1/2", "-x+1/2,y+1/2,z+1/2", "-y+1/2,-x+1/2,z+1/2", "x+1/2,-y+1/2,z+1/2", "y+1/2,x+1/2,z+1/2"], "short_h_m": "P4/nnc", "hermann_mauguin_u": "P4/nnc", "point_group": "4/mmm"}, {"symops": ["x,y,z", "-y+1/2,x,z", "-x+1/2,-y+1/2,z", "y,-x+1/2,z", "x,-y+1/2,-z+1/2", "y,x,-z+1/2", "-x+1/2,y,-z+1/2", "-y+1/2,-x+1/2,-z+1/2", "-x,-y,-z", "y-1/2,-x,-z", "x-1/2,y-1/2,-z", "-y,x-1/2,-z", "-x,y-1/2,z-1/2", "-y,-x,z-1/2", "x-1/2,-y,z-1/2", "y-1/2,x-1/2,z-1/2"], "universal_h_m": "P 4/n n c :2", "number": 126, "schoenflies": "D4h^4", "hall": "-P 4a 2bc", "hermann_mauguin": "P 4/n n c", 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{"symops": ["x,y,z", "-y+1/4,x+3/4,z+1/4", "-x+1/2,-y,z+1/2", "y+1/4,-x+1/4,z+3/4", "x,-y,-z+1/2", "y+1/4,x+3/4,-z+3/4", "-x+1/2,y,-z", "-y+1/4,-x+1/4,-z+1/4", "-x,-y,-z", "y-1/4,-x-3/4,-z-1/4", "x-1/2,y,-z-1/2", "-y-1/4,x-1/4,-z-3/4", "-x,y,z-1/2", "-y-1/4,-x-3/4,z-3/4", "x-1/2,-y,z", "y-1/4,x-1/4,z-1/4", "x+1/2,y+1/2,z+1/2", "-y+3/4,x+5/4,z+3/4", "-x+1,-y+1/2,z+1", "y+3/4,-x+3/4,z+5/4", "x+1/2,-y+1/2,-z+1", "y+3/4,x+5/4,-z+5/4", "-x+1,y+1/2,-z+1/2", "-y+3/4,-x+3/4,-z+3/4", "-x+1/2,-y+1/2,-z+1/2", "y+1/4,-x-1/4,-z+1/4", "x,y+1/2,-z", "-y+1/4,x+1/4,-z-1/4", "-x+1/2,y+1/2,z", "-y+1/4,-x-1/4,z-1/4", "x,-y+1/2,z+1/2", "y+1/4,x+1/4,z+1/4"], "universal_h_m": "I 41/a c d :2", "number": 142, "schoenflies": "D4h^20", "hall": "-I 4bd 2c", "hermann_mauguin": "I 41/a c d", "ncsym": ["x,y,z", "-y+1/4,x+3/4,z+1/4", "-x+1/2,-y,z+1/2", "y+1/4,-x+1/4,z+3/4", "x,-y,-z+1/2", "y+1/4,x+3/4,-z+3/4", "-x+1/2,y,-z", "-y+1/4,-x+1/4,-z+1/4", "-x,-y,-z", "y-1/4,-x-3/4,-z-1/4", "x-1/2,y,-z-1/2", "-y-1/4,x-1/4,-z-3/4", "-x,y,z-1/2", "-y-1/4,-x-3/4,z-3/4", "x-1/2,-y,z", "y-1/4,x-1/4,z-1/4"], "short_h_m": "I4_1/acd", "hermann_mauguin_u": "I4_1/acd", "point_group": "4/mmm"}, {"symops": ["x,y,z", "-y,x-y,z", "-x+y,-x,z"], "universal_h_m": "P 3", "number": 143, "schoenflies": "C3^1", "hall": " P 3", "hermann_mauguin": "P 3", "ncsym": ["x,y,z", "-y,x-y,z", "-x+y,-x,z"], "short_h_m": "P3", "hermann_mauguin_u": "P3", "point_group": "3"}, {"symops": ["x,y,z", "-y,x-y,z+1/3", "-x+y,-x,z+2/3"], "universal_h_m": "P 31", "number": 144, "schoenflies": "C3^2", "hall": " P 31", "hermann_mauguin": "P 31", "ncsym": ["x,y,z", "-y,x-y,z+1/3", "-x+y,-x,z+2/3"], "short_h_m": "P3_1", "hermann_mauguin_u": "P3_1", "point_group": "3"}, {"symops": ["x,y,z", "-y,x-y,z+2/3", "-x+y,-x,z+1/3"], "universal_h_m": "P 32", "number": 145, "schoenflies": "C3^3", "hall": " P 32", "hermann_mauguin": "P 32", "ncsym": ["x,y,z", "-y,x-y,z+2/3", "-x+y,-x,z+1/3"], "short_h_m": "P3_2", "hermann_mauguin_u": "P3_2", "point_group": "3"}, {"symops": ["x,y,z", "-y,x-y,z", "-x+y,-x,z", "x+2/3,y+1/3,z+1/3", "-y+2/3,x-y+1/3,z+1/3", "-x+y+2/3,-x+1/3,z+1/3", "x+1/3,y+2/3,z+2/3", "-y+1/3,x-y+2/3,z+2/3", "-x+y+1/3,-x+2/3,z+2/3"], "universal_h_m": "R 3 :H", "number": 146, "schoenflies": "C3^4", "hall": " R 3", "hermann_mauguin": "R 3", "ncsym": ["x,y,z", "-y,x-y,z", "-x+y,-x,z"], "short_h_m": "R3", "hermann_mauguin_u": "R3", "point_group": "3"}, {"symops": ["x,y,z", "z,x,y", "y,z,x"], "universal_h_m": "R 3 :R", "number": 146, "schoenflies": "C3^4", "hall": " P 3*", "hermann_mauguin": "R 3", "ncsym": ["x,y,z", "z,x,y", "y,z,x"], "short_h_m": "R3", "hermann_mauguin_u": "R3", "point_group": "3"}, {"symops": ["x,y,z", "-y,x-y,z", "-x+y,-x,z", "-x,-y,-z", "y,-x+y,-z", "x-y,x,-z"], "universal_h_m": "P -3", "number": 147, "schoenflies": "C3i^1", "hall": "-P 3", "hermann_mauguin": "P -3", "ncsym": ["x,y,z", "-y,x-y,z", "-x+y,-x,z", "-x,-y,-z", "y,-x+y,-z", "x-y,x,-z"], "short_h_m": "P-3", "hermann_mauguin_u": "P-3", "point_group": "-3"}, {"symops": ["x,y,z", "-y,x-y,z", "-x+y,-x,z", "-x,-y,-z", "y,-x+y,-z", "x-y,x,-z", "x+2/3,y+1/3,z+1/3", "-y+2/3,x-y+1/3,z+1/3", "-x+y+2/3,-x+1/3,z+1/3", "-x+2/3,-y+1/3,-z+1/3", "y+2/3,-x+y+1/3,-z+1/3", "x-y+2/3,x+1/3,-z+1/3", "x+1/3,y+2/3,z+2/3", "-y+1/3,x-y+2/3,z+2/3", "-x+y+1/3,-x+2/3,z+2/3", "-x+1/3,-y+2/3,-z+2/3", "y+1/3,-x+y+2/3,-z+2/3", "x-y+1/3,x+2/3,-z+2/3"], "universal_h_m": "R -3 :H", "number": 148, "schoenflies": "C3i^2", "hall": "-R 3", "hermann_mauguin": "R -3", "ncsym": ["x,y,z", "-y,x-y,z", "-x+y,-x,z", "-x,-y,-z", "y,-x+y,-z", "x-y,x,-z"], "short_h_m": "R-3", "hermann_mauguin_u": "R-3", "point_group": "-3"}, {"symops": ["x,y,z", "z,x,y", "y,z,x", "-x,-y,-z", "-z,-x,-y", "-y,-z,-x"], "universal_h_m": "R -3 :R", "number": 148, "schoenflies": "C3i^2", "hall": "-P 3*", "hermann_mauguin": "R -3", "ncsym": ["x,y,z", "z,x,y", "y,z,x", "-x,-y,-z", "-z,-x,-y", "-y,-z,-x"], "short_h_m": "R-3", "hermann_mauguin_u": "R-3", "point_group": "-3"}, {"symops": ["x,y,z", "-y,x-y,z", "-x+y,-x,z", "-y,-x,-z", "x,x-y,-z", "-x+y,y,-z"], "universal_h_m": "P 3 1 2", "number": 149, "schoenflies": "D3^1", "hall": " P 3 2", "hermann_mauguin": "P 3 1 2", "ncsym": ["x,y,z", "-y,x-y,z", "-x+y,-x,z", "-y,-x,-z", "x,x-y,-z", "-x+y,y,-z"], "short_h_m": "P32", "hermann_mauguin_u": "P312", "point_group": "32"}, {"symops": ["x,y,z", "-y,x-y,z", "-x+y,-x,z", "y,x,-z", "-x,-x+y,-z", "x-y,-y,-z"], "universal_h_m": "P 3 2 1", "number": 150, "schoenflies": "D3^2", "hall": " P 3 2\"", "hermann_mauguin": "P 3 2 1", "ncsym": ["x,y,z", "-y,x-y,z", "-x+y,-x,z", "y,x,-z", "-x,-x+y,-z", "x-y,-y,-z"], "short_h_m": "P32", "hermann_mauguin_u": "P321", "point_group": "32"}, {"symops": ["x,y,z", "-y,x-y,z+1/3", "-x+y,-x,z+2/3", "-y,-x,-z+2/3", "x,x-y,-z", "-x+y,y,-z+1/3"], "universal_h_m": "P 31 1 2", "number": 151, "schoenflies": "D3^3", "hall": " P 31 2 (0 0 4)", "hermann_mauguin": "P 31 1 2", "ncsym": ["x,y,z", "-y,x-y,z+1/3", "-x+y,-x,z+2/3", "-y,-x,-z+2/3", "x,x-y,-z", "-x+y,y,-z+1/3"], "short_h_m": "P3_12", "hermann_mauguin_u": "P3_112", "point_group": "32"}, {"symops": ["x,y,z", "-y,x-y,z+1/3", "-x+y,-x,z+2/3", "y,x,-z", "-x,-x+y,-z+1/3", "x-y,-y,-z+2/3"], "universal_h_m": "P 31 2 1", "number": 152, "schoenflies": "D3^4", "hall": " P 31 2\"", "hermann_mauguin": "P 31 2 1", "ncsym": ["x,y,z", "-y,x-y,z+1/3", "-x+y,-x,z+2/3", "y,x,-z", "-x,-x+y,-z+1/3", "x-y,-y,-z+2/3"], "short_h_m": "P3_12", "hermann_mauguin_u": "P3_121", "point_group": "32"}, {"symops": ["x,y,z", "-y,x-y,z+2/3", "-x+y,-x,z+1/3", "-y,-x,-z+1/3", "x,x-y,-z", "-x+y,y,-z+2/3"], "universal_h_m": "P 32 1 2", "number": 153, "schoenflies": "D3^5", "hall": " P 32 2 (0 0 2)", "hermann_mauguin": "P 32 1 2", "ncsym": ["x,y,z", "-y,x-y,z+2/3", "-x+y,-x,z+1/3", "-y,-x,-z+1/3", "x,x-y,-z", "-x+y,y,-z+2/3"], "short_h_m": "P3_22", "hermann_mauguin_u": "P3_212", "point_group": "32"}, {"symops": ["x,y,z", "-y,x-y,z+2/3", "-x+y,-x,z+1/3", "y,x,-z", "-x,-x+y,-z+2/3", "x-y,-y,-z+1/3"], "universal_h_m": "P 32 2 1", "number": 154, "schoenflies": "D3^6", "hall": " P 32 2\"", "hermann_mauguin": "P 32 2 1", "ncsym": ["x,y,z", "-y,x-y,z+2/3", "-x+y,-x,z+1/3", "y,x,-z", "-x,-x+y,-z+2/3", "x-y,-y,-z+1/3"], "short_h_m": "P3_22", "hermann_mauguin_u": "P3_221", "point_group": "32"}, {"symops": ["x,y,z", "-y,x-y,z", "-x+y,-x,z", "y,x,-z", "-x,-x+y,-z", "x-y,-y,-z", "x+2/3,y+1/3,z+1/3", "-y+2/3,x-y+1/3,z+1/3", "-x+y+2/3,-x+1/3,z+1/3", "y+2/3,x+1/3,-z+1/3", "-x+2/3,-x+y+1/3,-z+1/3", "x-y+2/3,-y+1/3,-z+1/3", "x+1/3,y+2/3,z+2/3", "-y+1/3,x-y+2/3,z+2/3", "-x+y+1/3,-x+2/3,z+2/3", "y+1/3,x+2/3,-z+2/3", "-x+1/3,-x+y+2/3,-z+2/3", "x-y+1/3,-y+2/3,-z+2/3"], "universal_h_m": "R 3 2 :H", "number": 155, "schoenflies": "D3^7", "hall": " R 3 2\"", "hermann_mauguin": "R 3 2", "ncsym": ["x,y,z", "-y,x-y,z", "-x+y,-x,z", "y,x,-z", "-x,-x+y,-z", "x-y,-y,-z"], "short_h_m": "R32", "hermann_mauguin_u": "R32", "point_group": "32"}, {"symops": ["x,y,z", "z,x,y", "y,z,x", "-y,-x,-z", "-z,-y,-x", "-x,-z,-y"], "universal_h_m": "R 3 2 :R", "number": 155, "schoenflies": "D3^7", "hall": " P 3* 2", "hermann_mauguin": "R 3 2", "ncsym": ["x,y,z", "z,x,y", "y,z,x", "-y,-x,-z", "-z,-y,-x", "-x,-z,-y"], "short_h_m": "R32", "hermann_mauguin_u": "R32", "point_group": "32"}, {"symops": ["x,y,z", "-y,x-y,z", "-x+y,-x,z", "-y,-x,z", "x,x-y,z", "-x+y,y,z"], "universal_h_m": "P 3 m 1", "number": 156, "schoenflies": "C3v^1", "hall": " P 3 -2\"", "hermann_mauguin": "P 3 m 1", "ncsym": ["x,y,z", "-y,x-y,z", "-x+y,-x,z", "-y,-x,z", "x,x-y,z", "-x+y,y,z"], "short_h_m": "P3m", "hermann_mauguin_u": "P3m1", "point_group": "3m"}, {"symops": ["x,y,z", "-y,x-y,z", "-x+y,-x,z", "y,x,z", "-x,-x+y,z", "x-y,-y,z"], "universal_h_m": "P 3 1 m", "number": 157, "schoenflies": "C3v^2", "hall": " P 3 -2", "hermann_mauguin": "P 3 1 m", "ncsym": ["x,y,z", "-y,x-y,z", "-x+y,-x,z", "y,x,z", "-x,-x+y,z", "x-y,-y,z"], "short_h_m": "P3m", "hermann_mauguin_u": "P31m", "point_group": "3m"}, {"symops": ["x,y,z", "-y,x-y,z", "-x+y,-x,z", "-y,-x,z+1/2", "x,x-y,z+1/2", "-x+y,y,z+1/2"], "universal_h_m": "P 3 c 1", "number": 158, "schoenflies": "C3v^3", "hall": " P 3 -2\"c", "hermann_mauguin": "P 3 c 1", "ncsym": ["x,y,z", "-y,x-y,z", "-x+y,-x,z", "-y,-x,z+1/2", "x,x-y,z+1/2", "-x+y,y,z+1/2"], "short_h_m": "P3c", "hermann_mauguin_u": "P3c1", "point_group": "3m"}, {"symops": ["x,y,z", "-y,x-y,z", "-x+y,-x,z", "y,x,z+1/2", "-x,-x+y,z+1/2", "x-y,-y,z+1/2"], "universal_h_m": "P 3 1 c", "number": 159, "schoenflies": "C3v^4", "hall": " P 3 -2c", "hermann_mauguin": "P 3 1 c", "ncsym": ["x,y,z", "-y,x-y,z", "-x+y,-x,z", "y,x,z+1/2", "-x,-x+y,z+1/2", "x-y,-y,z+1/2"], "short_h_m": "P3c", "hermann_mauguin_u": "P31c", "point_group": "3m"}, {"symops": ["x,y,z", "-y,x-y,z", "-x+y,-x,z", "-y,-x,z", "x,x-y,z", "-x+y,y,z", "x+2/3,y+1/3,z+1/3", "-y+2/3,x-y+1/3,z+1/3", "-x+y+2/3,-x+1/3,z+1/3", "-y+2/3,-x+1/3,z+1/3", "x+2/3,x-y+1/3,z+1/3", "-x+y+2/3,y+1/3,z+1/3", "x+1/3,y+2/3,z+2/3", "-y+1/3,x-y+2/3,z+2/3", "-x+y+1/3,-x+2/3,z+2/3", "-y+1/3,-x+2/3,z+2/3", "x+1/3,x-y+2/3,z+2/3", "-x+y+1/3,y+2/3,z+2/3"], "universal_h_m": "R 3 m :H", "number": 160, "schoenflies": "C3v^5", "hall": " R 3 -2\"", "hermann_mauguin": "R 3 m", "ncsym": ["x,y,z", "-y,x-y,z", "-x+y,-x,z", "-y,-x,z", "x,x-y,z", "-x+y,y,z"], "short_h_m": "R3m", "hermann_mauguin_u": "R3m", "point_group": "3m"}, {"symops": ["x,y,z", "z,x,y", "y,z,x", "y,x,z", "z,y,x", "x,z,y"], "universal_h_m": "R 3 m :R", "number": 160, "schoenflies": "C3v^5", "hall": " P 3* -2", "hermann_mauguin": "R 3 m", "ncsym": ["x,y,z", "z,x,y", "y,z,x", "y,x,z", "z,y,x", "x,z,y"], "short_h_m": "R3m", "hermann_mauguin_u": "R3m", "point_group": "3m"}, {"symops": ["x,y,z", "-y,x-y,z", "-x+y,-x,z", "-y,-x,z+1/2", "x,x-y,z+1/2", "-x+y,y,z+1/2", "x+2/3,y+1/3,z+1/3", "-y+2/3,x-y+1/3,z+1/3", "-x+y+2/3,-x+1/3,z+1/3", "-y+2/3,-x+1/3,z+5/6", "x+2/3,x-y+1/3,z+5/6", "-x+y+2/3,y+1/3,z+5/6", "x+1/3,y+2/3,z+2/3", "-y+1/3,x-y+2/3,z+2/3", "-x+y+1/3,-x+2/3,z+2/3", "-y+1/3,-x+2/3,z+7/6", "x+1/3,x-y+2/3,z+7/6", "-x+y+1/3,y+2/3,z+7/6"], "universal_h_m": "R 3 c :H", "number": 161, "schoenflies": "C3v^6", "hall": " R 3 -2\"c", "hermann_mauguin": "R 3 c", "ncsym": ["x,y,z", "-y,x-y,z", "-x+y,-x,z", "-y,-x,z+1/2", "x,x-y,z+1/2", "-x+y,y,z+1/2"], "short_h_m": "R3c", "hermann_mauguin_u": "R3c", "point_group": "3m"}, {"symops": ["x,y,z", "z,x,y", "y,z,x", "y+1/2,x+1/2,z+1/2", "z+1/2,y+1/2,x+1/2", "x+1/2,z+1/2,y+1/2"], "universal_h_m": "R 3 c :R", "number": 161, "schoenflies": "C3v^6", "hall": " P 3* -2n", "hermann_mauguin": "R 3 c", "ncsym": ["x,y,z", "z,x,y", "y,z,x", "y+1/2,x+1/2,z+1/2", "z+1/2,y+1/2,x+1/2", "x+1/2,z+1/2,y+1/2"], "short_h_m": "R3c", "hermann_mauguin_u": "R3c", "point_group": "3m"}, {"symops": ["x,y,z", "-y,x-y,z", "-x+y,-x,z", "-y,-x,-z", "x,x-y,-z", "-x+y,y,-z", "-x,-y,-z", "y,-x+y,-z", "x-y,x,-z", "y,x,z", "-x,-x+y,z", "x-y,-y,z"], "universal_h_m": "P -3 1 m", "number": 162, "schoenflies": "D3d^1", "hall": "-P 3 2", "hermann_mauguin": "P -3 1 m", "ncsym": ["x,y,z", "-y,x-y,z", "-x+y,-x,z", "-y,-x,-z", "x,x-y,-z", "-x+y,y,-z", "-x,-y,-z", "y,-x+y,-z", "x-y,x,-z", "y,x,z", "-x,-x+y,z", "x-y,-y,z"], "short_h_m": "P-3m", "hermann_mauguin_u": "P-31m", "point_group": "-3m"}, {"symops": ["x,y,z", "-y,x-y,z", "-x+y,-x,z", "-y,-x,-z+1/2", "x,x-y,-z+1/2", "-x+y,y,-z+1/2", "-x,-y,-z", "y,-x+y,-z", "x-y,x,-z", "y,x,z-1/2", "-x,-x+y,z-1/2", "x-y,-y,z-1/2"], "universal_h_m": "P -3 1 c", "number": 163, "schoenflies": "D3d^2", "hall": "-P 3 2c", "hermann_mauguin": "P -3 1 c", "ncsym": ["x,y,z", "-y,x-y,z", "-x+y,-x,z", "-y,-x,-z+1/2", "x,x-y,-z+1/2", "-x+y,y,-z+1/2", "-x,-y,-z", "y,-x+y,-z", "x-y,x,-z", "y,x,z-1/2", "-x,-x+y,z-1/2", "x-y,-y,z-1/2"], "short_h_m": "P-3c", "hermann_mauguin_u": "P-31c", "point_group": "-3m"}, {"symops": ["x,y,z", "-y,x-y,z", "-x+y,-x,z", "y,x,-z", "-x,-x+y,-z", "x-y,-y,-z", "-x,-y,-z", "y,-x+y,-z", "x-y,x,-z", "-y,-x,z", "x,x-y,z", "-x+y,y,z"], "universal_h_m": "P -3 m 1", "number": 164, "schoenflies": "D3d^3", "hall": "-P 3 2\"", "hermann_mauguin": "P -3 m 1", "ncsym": ["x,y,z", "-y,x-y,z", "-x+y,-x,z", "y,x,-z", "-x,-x+y,-z", "x-y,-y,-z", "-x,-y,-z", "y,-x+y,-z", "x-y,x,-z", "-y,-x,z", "x,x-y,z", "-x+y,y,z"], "short_h_m": "P-3m", "hermann_mauguin_u": "P-3m1", "point_group": "-3m"}, {"symops": ["x,y,z", "-y,x-y,z", "-x+y,-x,z", "y,x,-z+1/2", "-x,-x+y,-z+1/2", "x-y,-y,-z+1/2", "-x,-y,-z", "y,-x+y,-z", "x-y,x,-z", "-y,-x,z-1/2", "x,x-y,z-1/2", "-x+y,y,z-1/2"], "universal_h_m": "P -3 c 1", "number": 165, "schoenflies": "D3d^4", "hall": "-P 3 2\"c", "hermann_mauguin": "P -3 c 1", "ncsym": ["x,y,z", "-y,x-y,z", "-x+y,-x,z", "y,x,-z+1/2", "-x,-x+y,-z+1/2", "x-y,-y,-z+1/2", "-x,-y,-z", "y,-x+y,-z", "x-y,x,-z", "-y,-x,z-1/2", "x,x-y,z-1/2", "-x+y,y,z-1/2"], "short_h_m": "P-3c", "hermann_mauguin_u": "P-3c1", "point_group": "-3m"}, {"symops": ["x,y,z", "-y,x-y,z", "-x+y,-x,z", "y,x,-z", "-x,-x+y,-z", "x-y,-y,-z", "-x,-y,-z", "y,-x+y,-z", "x-y,x,-z", "-y,-x,z", "x,x-y,z", "-x+y,y,z", "x+2/3,y+1/3,z+1/3", "-y+2/3,x-y+1/3,z+1/3", "-x+y+2/3,-x+1/3,z+1/3", "y+2/3,x+1/3,-z+1/3", "-x+2/3,-x+y+1/3,-z+1/3", "x-y+2/3,-y+1/3,-z+1/3", "-x+2/3,-y+1/3,-z+1/3", "y+2/3,-x+y+1/3,-z+1/3", "x-y+2/3,x+1/3,-z+1/3", "-y+2/3,-x+1/3,z+1/3", "x+2/3,x-y+1/3,z+1/3", "-x+y+2/3,y+1/3,z+1/3", "x+1/3,y+2/3,z+2/3", "-y+1/3,x-y+2/3,z+2/3", "-x+y+1/3,-x+2/3,z+2/3", "y+1/3,x+2/3,-z+2/3", "-x+1/3,-x+y+2/3,-z+2/3", "x-y+1/3,-y+2/3,-z+2/3", "-x+1/3,-y+2/3,-z+2/3", "y+1/3,-x+y+2/3,-z+2/3", "x-y+1/3,x+2/3,-z+2/3", "-y+1/3,-x+2/3,z+2/3", "x+1/3,x-y+2/3,z+2/3", "-x+y+1/3,y+2/3,z+2/3"], "universal_h_m": "R -3 m :H", "number": 166, "schoenflies": "D3d^5", "hall": "-R 3 2\"", "hermann_mauguin": "R -3 m", "ncsym": ["x,y,z", "-y,x-y,z", "-x+y,-x,z", "y,x,-z", "-x,-x+y,-z", "x-y,-y,-z", "-x,-y,-z", "y,-x+y,-z", "x-y,x,-z", "-y,-x,z", "x,x-y,z", "-x+y,y,z"], "short_h_m": "R-3m", "hermann_mauguin_u": "R-3m", "point_group": "-3m"}, {"symops": ["x,y,z", "z,x,y", "y,z,x", "-y,-x,-z", "-z,-y,-x", "-x,-z,-y", "-x,-y,-z", "-z,-x,-y", "-y,-z,-x", "y,x,z", "z,y,x", "x,z,y"], "universal_h_m": "R -3 m :R", "number": 166, "schoenflies": "D3d^5", "hall": "-P 3* 2", "hermann_mauguin": "R -3 m", "ncsym": ["x,y,z", "z,x,y", "y,z,x", "-y,-x,-z", "-z,-y,-x", "-x,-z,-y", "-x,-y,-z", "-z,-x,-y", "-y,-z,-x", "y,x,z", "z,y,x", "x,z,y"], "short_h_m": "R-3m", "hermann_mauguin_u": "R-3m", "point_group": "-3m"}, {"symops": ["x,y,z", "-y,x-y,z", "-x+y,-x,z", "y,x,-z+1/2", "-x,-x+y,-z+1/2", "x-y,-y,-z+1/2", "-x,-y,-z", "y,-x+y,-z", "x-y,x,-z", "-y,-x,z-1/2", "x,x-y,z-1/2", "-x+y,y,z-1/2", "x+2/3,y+1/3,z+1/3", "-y+2/3,x-y+1/3,z+1/3", "-x+y+2/3,-x+1/3,z+1/3", "y+2/3,x+1/3,-z+5/6", "-x+2/3,-x+y+1/3,-z+5/6", "x-y+2/3,-y+1/3,-z+5/6", "-x+2/3,-y+1/3,-z+1/3", "y+2/3,-x+y+1/3,-z+1/3", "x-y+2/3,x+1/3,-z+1/3", "-y+2/3,-x+1/3,z-1/6", "x+2/3,x-y+1/3,z-1/6", "-x+y+2/3,y+1/3,z-1/6", "x+1/3,y+2/3,z+2/3", "-y+1/3,x-y+2/3,z+2/3", "-x+y+1/3,-x+2/3,z+2/3", "y+1/3,x+2/3,-z+7/6", "-x+1/3,-x+y+2/3,-z+7/6", "x-y+1/3,-y+2/3,-z+7/6", "-x+1/3,-y+2/3,-z+2/3", "y+1/3,-x+y+2/3,-z+2/3", "x-y+1/3,x+2/3,-z+2/3", "-y+1/3,-x+2/3,z+1/6", "x+1/3,x-y+2/3,z+1/6", "-x+y+1/3,y+2/3,z+1/6"], "universal_h_m": "R -3 c :H", "number": 167, "schoenflies": "D3d^6", "hall": "-R 3 2\"c", "hermann_mauguin": "R -3 c", "ncsym": ["x,y,z", "-y,x-y,z", "-x+y,-x,z", "y,x,-z+1/2", "-x,-x+y,-z+1/2", "x-y,-y,-z+1/2", "-x,-y,-z", "y,-x+y,-z", "x-y,x,-z", "-y,-x,z-1/2", "x,x-y,z-1/2", "-x+y,y,z-1/2"], "short_h_m": "R-3c", "hermann_mauguin_u": "R-3c", "point_group": "-3m"}, {"symops": ["x,y,z", "z,x,y", "y,z,x", "-y+1/2,-x+1/2,-z+1/2", "-z+1/2,-y+1/2,-x+1/2", "-x+1/2,-z+1/2,-y+1/2", "-x,-y,-z", "-z,-x,-y", "-y,-z,-x", "y-1/2,x-1/2,z-1/2", "z-1/2,y-1/2,x-1/2", "x-1/2,z-1/2,y-1/2"], "universal_h_m": "R -3 c :R", "number": 167, "schoenflies": "D3d^6", "hall": "-P 3* 2n", "hermann_mauguin": "R -3 c", "ncsym": ["x,y,z", "z,x,y", "y,z,x", "-y+1/2,-x+1/2,-z+1/2", "-z+1/2,-y+1/2,-x+1/2", "-x+1/2,-z+1/2,-y+1/2", "-x,-y,-z", "-z,-x,-y", "-y,-z,-x", "y-1/2,x-1/2,z-1/2", "z-1/2,y-1/2,x-1/2", "x-1/2,z-1/2,y-1/2"], "short_h_m": "R-3c", "hermann_mauguin_u": "R-3c", "point_group": "-3m"}, {"symops": ["x,y,z", "x-y,x,z", "-y,x-y,z", "-x,-y,z", "-x+y,-x,z", "y,-x+y,z"], "universal_h_m": "P 6", "number": 168, "schoenflies": "C6^1", "hall": " P 6", "hermann_mauguin": "P 6", "ncsym": ["x,y,z", "x-y,x,z", "-y,x-y,z", "-x,-y,z", "-x+y,-x,z", "y,-x+y,z"], "short_h_m": "P6", "hermann_mauguin_u": "P6", "point_group": "6"}, {"symops": ["x,y,z", "x-y,x,z+1/6", "-y,x-y,z+1/3", "-x,-y,z+1/2", "-x+y,-x,z+2/3", "y,-x+y,z+5/6"], "universal_h_m": "P 61", "number": 169, "schoenflies": "C6^2", "hall": " P 61", "hermann_mauguin": "P 61", "ncsym": ["x,y,z", "x-y,x,z+1/6", "-y,x-y,z+1/3", "-x,-y,z+1/2", "-x+y,-x,z+2/3", "y,-x+y,z+5/6"], "short_h_m": "P6_1", "hermann_mauguin_u": "P6_1", "point_group": "6"}, {"symops": ["x,y,z", "x-y,x,z+5/6", "-y,x-y,z+2/3", "-x,-y,z+1/2", "-x+y,-x,z+1/3", "y,-x+y,z+1/6"], "universal_h_m": "P 65", "number": 170, "schoenflies": "C6^3", "hall": " P 65", "hermann_mauguin": "P 65", "ncsym": ["x,y,z", "x-y,x,z+5/6", "-y,x-y,z+2/3", "-x,-y,z+1/2", "-x+y,-x,z+1/3", "y,-x+y,z+1/6"], "short_h_m": "P6_5", "hermann_mauguin_u": "P6_5", "point_group": "6"}, {"symops": ["x,y,z", "x-y,x,z+1/3", "-y,x-y,z+2/3", "-x,-y,z", "-x+y,-x,z+1/3", "y,-x+y,z+2/3"], "universal_h_m": "P 62", "number": 171, "schoenflies": "C6^4", "hall": " P 62", "hermann_mauguin": "P 62", "ncsym": ["x,y,z", "x-y,x,z+1/3", "-y,x-y,z+2/3", "-x,-y,z", "-x+y,-x,z+1/3", "y,-x+y,z+2/3"], "short_h_m": "P6_2", "hermann_mauguin_u": "P6_2", "point_group": "6"}, {"symops": ["x,y,z", "x-y,x,z+2/3", "-y,x-y,z+1/3", "-x,-y,z", "-x+y,-x,z+2/3", "y,-x+y,z+1/3"], "universal_h_m": "P 64", "number": 172, "schoenflies": "C6^5", "hall": " P 64", "hermann_mauguin": "P 64", "ncsym": ["x,y,z", "x-y,x,z+2/3", "-y,x-y,z+1/3", "-x,-y,z", "-x+y,-x,z+2/3", "y,-x+y,z+1/3"], "short_h_m": "P6_4", "hermann_mauguin_u": "P6_4", "point_group": "6"}, {"symops": ["x,y,z", "x-y,x,z+1/2", "-y,x-y,z", "-x,-y,z+1/2", "-x+y,-x,z", "y,-x+y,z+1/2"], "universal_h_m": "P 63", "number": 173, "schoenflies": "C6^6", "hall": " P 6c", "hermann_mauguin": "P 63", "ncsym": ["x,y,z", "x-y,x,z+1/2", "-y,x-y,z", "-x,-y,z+1/2", "-x+y,-x,z", "y,-x+y,z+1/2"], "short_h_m": "P6_3", "hermann_mauguin_u": "P6_3", "point_group": "6"}, {"symops": ["x,y,z", "-x+y,-x,-z", "-y,x-y,z", "x,y,-z", "-x+y,-x,z", "-y,x-y,-z"], "universal_h_m": "P -6", "number": 174, "schoenflies": "C3h^1", "hall": " P -6", "hermann_mauguin": "P -6", "ncsym": ["x,y,z", "-x+y,-x,-z", "-y,x-y,z", "x,y,-z", "-x+y,-x,z", "-y,x-y,-z"], "short_h_m": "P-6", "hermann_mauguin_u": "P-6", "point_group": "-6"}, {"symops": ["x,y,z", "x-y,x,z", "-y,x-y,z", "-x,-y,z", "-x+y,-x,z", "y,-x+y,z", "-x,-y,-z", "-x+y,-x,-z", "y,-x+y,-z", "x,y,-z", "x-y,x,-z", "-y,x-y,-z"], "universal_h_m": "P 6/m", "number": 175, "schoenflies": "C6h^1", "hall": "-P 6", "hermann_mauguin": "P 6/m", "ncsym": ["x,y,z", "x-y,x,z", "-y,x-y,z", "-x,-y,z", "-x+y,-x,z", "y,-x+y,z", "-x,-y,-z", "-x+y,-x,-z", "y,-x+y,-z", "x,y,-z", "x-y,x,-z", "-y,x-y,-z"], "short_h_m": "P6/m", "hermann_mauguin_u": "P6/m", "point_group": "6/m"}, {"symops": ["x,y,z", "x-y,x,z+1/2", "-y,x-y,z", "-x,-y,z+1/2", "-x+y,-x,z", "y,-x+y,z+1/2", "-x,-y,-z", "-x+y,-x,-z-1/2", "y,-x+y,-z", "x,y,-z-1/2", "x-y,x,-z", "-y,x-y,-z-1/2"], "universal_h_m": "P 63/m", "number": 176, "schoenflies": "C6h^2", "hall": "-P 6c", "hermann_mauguin": "P 63/m", "ncsym": ["x,y,z", "x-y,x,z+1/2", "-y,x-y,z", "-x,-y,z+1/2", "-x+y,-x,z", "y,-x+y,z+1/2", "-x,-y,-z", "-x+y,-x,-z-1/2", "y,-x+y,-z", "x,y,-z-1/2", "x-y,x,-z", "-y,x-y,-z-1/2"], "short_h_m": "P6_3/m", "hermann_mauguin_u": "P6_3/m", "point_group": "6/m"}, {"symops": ["x,y,z", "x-y,x,z", "-y,x-y,z", "-x,-y,z", "-x+y,-x,z", "y,-x+y,z", "-y,-x,-z", "x-y,-y,-z", "x,x-y,-z", "y,x,-z", "-x+y,y,-z", "-x,-x+y,-z"], "universal_h_m": "P 6 2 2", "number": 177, "schoenflies": "D6^1", "hall": " P 6 2", "hermann_mauguin": "P 6 2 2", "ncsym": ["x,y,z", "x-y,x,z", "-y,x-y,z", "-x,-y,z", "-x+y,-x,z", "y,-x+y,z", "-y,-x,-z", "x-y,-y,-z", "x,x-y,-z", "y,x,-z", "-x+y,y,-z", "-x,-x+y,-z"], "short_h_m": "P622", "hermann_mauguin_u": "P622", "point_group": "622"}, {"symops": ["x,y,z", "x-y,x,z+1/6", "-y,x-y,z+1/3", "-x,-y,z+1/2", "-x+y,-x,z+2/3", "y,-x+y,z+5/6", "-y,-x,-z+5/6", "x-y,-y,-z", "x,x-y,-z+1/6", "y,x,-z+1/3", "-x+y,y,-z+1/2", "-x,-x+y,-z+2/3"], "universal_h_m": "P 61 2 2", "number": 178, "schoenflies": "D6^2", "hall": " P 61 2 (0 0 5)", "hermann_mauguin": "P 61 2 2", "ncsym": ["x,y,z", "x-y,x,z+1/6", "-y,x-y,z+1/3", "-x,-y,z+1/2", "-x+y,-x,z+2/3", "y,-x+y,z+5/6", "-y,-x,-z+5/6", "x-y,-y,-z", "x,x-y,-z+1/6", "y,x,-z+1/3", "-x+y,y,-z+1/2", "-x,-x+y,-z+2/3"], "short_h_m": "P6_122", "hermann_mauguin_u": "P6_122", "point_group": "622"}, {"symops": ["x,y,z", "x-y,x,z+5/6", "-y,x-y,z+2/3", "-x,-y,z+1/2", "-x+y,-x,z+1/3", "y,-x+y,z+1/6", "-y,-x,-z+1/6", "x-y,-y,-z", "x,x-y,-z+5/6", "y,x,-z+2/3", "-x+y,y,-z+1/2", "-x,-x+y,-z+1/3"], "universal_h_m": "P 65 2 2", "number": 179, "schoenflies": "D6^3", "hall": " P 65 2 (0 0 1)", "hermann_mauguin": "P 65 2 2", "ncsym": ["x,y,z", "x-y,x,z+5/6", "-y,x-y,z+2/3", "-x,-y,z+1/2", "-x+y,-x,z+1/3", "y,-x+y,z+1/6", "-y,-x,-z+1/6", "x-y,-y,-z", "x,x-y,-z+5/6", "y,x,-z+2/3", "-x+y,y,-z+1/2", "-x,-x+y,-z+1/3"], "short_h_m": "P6_522", "hermann_mauguin_u": "P6_522", "point_group": "622"}, {"symops": ["x,y,z", "x-y,x,z+1/3", "-y,x-y,z+2/3", "-x,-y,z", "-x+y,-x,z+1/3", "y,-x+y,z+2/3", "-y,-x,-z+2/3", "x-y,-y,-z", "x,x-y,-z+1/3", "y,x,-z+2/3", "-x+y,y,-z", "-x,-x+y,-z+1/3"], "universal_h_m": "P 62 2 2", "number": 180, "schoenflies": "D6^4", "hall": " P 62 2 (0 0 4)", "hermann_mauguin": "P 62 2 2", "ncsym": ["x,y,z", "x-y,x,z+1/3", "-y,x-y,z+2/3", "-x,-y,z", "-x+y,-x,z+1/3", "y,-x+y,z+2/3", "-y,-x,-z+2/3", "x-y,-y,-z", "x,x-y,-z+1/3", "y,x,-z+2/3", "-x+y,y,-z", "-x,-x+y,-z+1/3"], "short_h_m": "P6_222", "hermann_mauguin_u": "P6_222", "point_group": "622"}, {"symops": ["x,y,z", "x-y,x,z+2/3", "-y,x-y,z+1/3", "-x,-y,z", "-x+y,-x,z+2/3", "y,-x+y,z+1/3", "-y,-x,-z+1/3", "x-y,-y,-z", "x,x-y,-z+2/3", "y,x,-z+1/3", "-x+y,y,-z", "-x,-x+y,-z+2/3"], "universal_h_m": "P 64 2 2", "number": 181, "schoenflies": "D6^5", "hall": " P 64 2 (0 0 2)", "hermann_mauguin": "P 64 2 2", "ncsym": ["x,y,z", "x-y,x,z+2/3", "-y,x-y,z+1/3", "-x,-y,z", "-x+y,-x,z+2/3", "y,-x+y,z+1/3", "-y,-x,-z+1/3", "x-y,-y,-z", "x,x-y,-z+2/3", "y,x,-z+1/3", "-x+y,y,-z", "-x,-x+y,-z+2/3"], "short_h_m": "P6_422", "hermann_mauguin_u": "P6_422", "point_group": "622"}, {"symops": ["x,y,z", "x-y,x,z+1/2", "-y,x-y,z", "-x,-y,z+1/2", "-x+y,-x,z", "y,-x+y,z+1/2", "-y,-x,-z+1/2", "x-y,-y,-z", "x,x-y,-z+1/2", "y,x,-z", "-x+y,y,-z+1/2", "-x,-x+y,-z"], "universal_h_m": "P 63 2 2", "number": 182, "schoenflies": "D6^6", "hall": " P 6c 2c", "hermann_mauguin": "P 63 2 2", "ncsym": ["x,y,z", "x-y,x,z+1/2", "-y,x-y,z", "-x,-y,z+1/2", "-x+y,-x,z", "y,-x+y,z+1/2", "-y,-x,-z+1/2", "x-y,-y,-z", "x,x-y,-z+1/2", "y,x,-z", "-x+y,y,-z+1/2", "-x,-x+y,-z"], "short_h_m": "P6_322", "hermann_mauguin_u": "P6_322", "point_group": "622"}, {"symops": ["x,y,z", "x-y,x,z", "-y,x-y,z", "-x,-y,z", "-x+y,-x,z", "y,-x+y,z", "y,x,z", "-x+y,y,z", "-x,-x+y,z", "-y,-x,z", "x-y,-y,z", "x,x-y,z"], "universal_h_m": "P 6 m m", "number": 183, "schoenflies": "C6v^1", "hall": " P 6 -2", "hermann_mauguin": "P 6 m m", "ncsym": ["x,y,z", "x-y,x,z", "-y,x-y,z", "-x,-y,z", "-x+y,-x,z", "y,-x+y,z", "y,x,z", "-x+y,y,z", "-x,-x+y,z", "-y,-x,z", "x-y,-y,z", "x,x-y,z"], "short_h_m": "P6mm", "hermann_mauguin_u": "P6mm", "point_group": "6mm"}, {"symops": ["x,y,z", "x-y,x,z", "-y,x-y,z", "-x,-y,z", "-x+y,-x,z", "y,-x+y,z", "y,x,z+1/2", "-x+y,y,z+1/2", "-x,-x+y,z+1/2", "-y,-x,z+1/2", "x-y,-y,z+1/2", "x,x-y,z+1/2"], "universal_h_m": "P 6 c c", "number": 184, "schoenflies": "C6v^2", "hall": " P 6 -2c", "hermann_mauguin": "P 6 c c", "ncsym": ["x,y,z", "x-y,x,z", "-y,x-y,z", "-x,-y,z", "-x+y,-x,z", "y,-x+y,z", "y,x,z+1/2", "-x+y,y,z+1/2", "-x,-x+y,z+1/2", "-y,-x,z+1/2", "x-y,-y,z+1/2", "x,x-y,z+1/2"], "short_h_m": "P6cc", "hermann_mauguin_u": "P6cc", "point_group": "6mm"}, {"symops": ["x,y,z", "x-y,x,z+1/2", "-y,x-y,z", "-x,-y,z+1/2", "-x+y,-x,z", "y,-x+y,z+1/2", "y,x,z", "-x+y,y,z+1/2", "-x,-x+y,z", "-y,-x,z+1/2", "x-y,-y,z", "x,x-y,z+1/2"], "universal_h_m": "P 63 c m", "number": 185, "schoenflies": "C6v^3", "hall": " P 6c -2", "hermann_mauguin": "P 63 c m", "ncsym": ["x,y,z", "x-y,x,z+1/2", "-y,x-y,z", "-x,-y,z+1/2", "-x+y,-x,z", "y,-x+y,z+1/2", "y,x,z", "-x+y,y,z+1/2", "-x,-x+y,z", "-y,-x,z+1/2", "x-y,-y,z", "x,x-y,z+1/2"], "short_h_m": "P6_3cm", "hermann_mauguin_u": "P6_3cm", "point_group": "6mm"}, {"symops": ["x,y,z", "x-y,x,z+1/2", "-y,x-y,z", "-x,-y,z+1/2", "-x+y,-x,z", "y,-x+y,z+1/2", "y,x,z+1/2", "-x+y,y,z", "-x,-x+y,z+1/2", "-y,-x,z", "x-y,-y,z+1/2", "x,x-y,z"], "universal_h_m": "P 63 m c", "number": 186, "schoenflies": "C6v^4", "hall": " P 6c -2c", "hermann_mauguin": "P 63 m c", "ncsym": ["x,y,z", "x-y,x,z+1/2", "-y,x-y,z", "-x,-y,z+1/2", "-x+y,-x,z", "y,-x+y,z+1/2", "y,x,z+1/2", "-x+y,y,z", "-x,-x+y,z+1/2", "-y,-x,z", "x-y,-y,z+1/2", "x,x-y,z"], "short_h_m": "P6_3mc", "hermann_mauguin_u": "P6_3mc", "point_group": "6mm"}, {"symops": ["x,y,z", "-x+y,-x,-z", "-y,x-y,z", "x,y,-z", "-x+y,-x,z", "-y,x-y,-z", "-y,-x,-z", "-x+y,y,z", "x,x-y,-z", "-y,-x,z", "-x+y,y,-z", "x,x-y,z"], "universal_h_m": "P -6 m 2", "number": 187, "schoenflies": "D3h^1", "hall": " P -6 2", "hermann_mauguin": "P -6 m 2", "ncsym": ["x,y,z", "-x+y,-x,-z", "-y,x-y,z", "x,y,-z", "-x+y,-x,z", "-y,x-y,-z", "-y,-x,-z", "-x+y,y,z", "x,x-y,-z", "-y,-x,z", "-x+y,y,-z", "x,x-y,z"], "short_h_m": "P-6m2", "hermann_mauguin_u": "P-6m2", "point_group": "-6m2"}, {"symops": ["x,y,z", "-x+y,-x,-z+1/2", "-y,x-y,z", "x,y,-z+1/2", "-x+y,-x,z", "-y,x-y,-z+1/2", "-y,-x,-z", "-x+y,y,z+1/2", "x,x-y,-z", "-y,-x,z+1/2", "-x+y,y,-z", "x,x-y,z+1/2"], "universal_h_m": "P -6 c 2", "number": 188, "schoenflies": "D3h^2", "hall": " P -6c 2", "hermann_mauguin": "P -6 c 2", "ncsym": ["x,y,z", "-x+y,-x,-z+1/2", "-y,x-y,z", "x,y,-z+1/2", "-x+y,-x,z", "-y,x-y,-z+1/2", "-y,-x,-z", "-x+y,y,z+1/2", "x,x-y,-z", "-y,-x,z+1/2", "-x+y,y,-z", "x,x-y,z+1/2"], "short_h_m": "P-6c2", "hermann_mauguin_u": "P-6c2", "point_group": "-6m2"}, {"symops": ["x,y,z", "-x+y,-x,-z", "-y,x-y,z", "x,y,-z", "-x+y,-x,z", "-y,x-y,-z", "y,x,z", "x-y,-y,-z", "-x,-x+y,z", "y,x,-z", "x-y,-y,z", "-x,-x+y,-z"], "universal_h_m": "P -6 2 m", "number": 189, "schoenflies": "D3h^3", "hall": " P -6 -2", "hermann_mauguin": "P -6 2 m", "ncsym": ["x,y,z", "-x+y,-x,-z", "-y,x-y,z", "x,y,-z", "-x+y,-x,z", "-y,x-y,-z", "y,x,z", "x-y,-y,-z", "-x,-x+y,z", "y,x,-z", "x-y,-y,z", "-x,-x+y,-z"], "short_h_m": "P-62m", "hermann_mauguin_u": "P-62m", "point_group": "-6m2"}, {"symops": ["x,y,z", "-x+y,-x,-z+1/2", "-y,x-y,z", "x,y,-z+1/2", "-x+y,-x,z", "-y,x-y,-z+1/2", "y,x,z+1/2", "x-y,-y,-z", "-x,-x+y,z+1/2", "y,x,-z", "x-y,-y,z+1/2", "-x,-x+y,-z"], "universal_h_m": "P -6 2 c", "number": 190, "schoenflies": "D3h^4", "hall": " P -6c -2c", "hermann_mauguin": "P -6 2 c", "ncsym": ["x,y,z", "-x+y,-x,-z+1/2", "-y,x-y,z", "x,y,-z+1/2", "-x+y,-x,z", "-y,x-y,-z+1/2", "y,x,z+1/2", "x-y,-y,-z", "-x,-x+y,z+1/2", "y,x,-z", "x-y,-y,z+1/2", "-x,-x+y,-z"], "short_h_m": "P-62c", "hermann_mauguin_u": "P-62c", "point_group": "-6m2"}, {"symops": ["x,y,z", "x-y,x,z", "-y,x-y,z", "-x,-y,z", "-x+y,-x,z", "y,-x+y,z", "-y,-x,-z", "x-y,-y,-z", "x,x-y,-z", "y,x,-z", "-x+y,y,-z", "-x,-x+y,-z", "-x,-y,-z", "-x+y,-x,-z", "y,-x+y,-z", "x,y,-z", "x-y,x,-z", "-y,x-y,-z", "y,x,z", "-x+y,y,z", "-x,-x+y,z", "-y,-x,z", "x-y,-y,z", "x,x-y,z"], "universal_h_m": "P 6/m m m", "number": 191, "schoenflies": "D6h^1", "hall": "-P 6 2", "hermann_mauguin": "P 6/m m m", "ncsym": ["x,y,z", "x-y,x,z", "-y,x-y,z", "-x,-y,z", "-x+y,-x,z", "y,-x+y,z", "-y,-x,-z", "x-y,-y,-z", "x,x-y,-z", "y,x,-z", "-x+y,y,-z", "-x,-x+y,-z", "-x,-y,-z", "-x+y,-x,-z", "y,-x+y,-z", "x,y,-z", "x-y,x,-z", "-y,x-y,-z", "y,x,z", "-x+y,y,z", "-x,-x+y,z", "-y,-x,z", "x-y,-y,z", "x,x-y,z"], "short_h_m": "P6/mmm", "hermann_mauguin_u": "P6/mmm", "point_group": "6/mmm"}, {"symops": ["x,y,z", "x-y,x,z", "-y,x-y,z", "-x,-y,z", "-x+y,-x,z", "y,-x+y,z", "-y,-x,-z+1/2", "x-y,-y,-z+1/2", "x,x-y,-z+1/2", "y,x,-z+1/2", "-x+y,y,-z+1/2", "-x,-x+y,-z+1/2", "-x,-y,-z", "-x+y,-x,-z", "y,-x+y,-z", "x,y,-z", "x-y,x,-z", "-y,x-y,-z", "y,x,z-1/2", "-x+y,y,z-1/2", "-x,-x+y,z-1/2", "-y,-x,z-1/2", "x-y,-y,z-1/2", "x,x-y,z-1/2"], "universal_h_m": "P 6/m c c", "number": 192, "schoenflies": "D6h^2", "hall": "-P 6 2c", "hermann_mauguin": "P 6/m c c", "ncsym": ["x,y,z", "x-y,x,z", "-y,x-y,z", "-x,-y,z", "-x+y,-x,z", "y,-x+y,z", "-y,-x,-z+1/2", "x-y,-y,-z+1/2", "x,x-y,-z+1/2", "y,x,-z+1/2", "-x+y,y,-z+1/2", "-x,-x+y,-z+1/2", "-x,-y,-z", "-x+y,-x,-z", "y,-x+y,-z", "x,y,-z", "x-y,x,-z", "-y,x-y,-z", "y,x,z-1/2", "-x+y,y,z-1/2", "-x,-x+y,z-1/2", "-y,-x,z-1/2", "x-y,-y,z-1/2", "x,x-y,z-1/2"], "short_h_m": "P6/mcc", "hermann_mauguin_u": "P6/mcc", "point_group": "6/mmm"}, {"symops": 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"hermann_mauguin_u": "A-1", "point_group": "-1"}, {"symops": ["x, y, z", "x+1/2, y, z+1/2", "-x, -y, -z", "-x+1/2, -y, -z+1/2"], "universal_h_m": "B -1", "number": 2, "schoenflies": "Ci^1", "hall": "-P 1 (-1/2*x+1/2*z,-y,1/2*x+1/2*z)", "hermann_mauguin": "B -1", "ncsym": ["x, y, z", "-x, -y, -z"], "short_h_m": "B-1", "hermann_mauguin_u": "B-1", "point_group": "-1"}, {"symops": ["x,y,z", "1/2-x,1/2-y,1/2-z", "1/2+x,1/2+y,1/2+z", "-x,-y,-z"], "universal_h_m": "I -1", "number": 2, "schoenflies": "D2^4", "hall": "-P 1 (-1/2*x+1/2*y+1/2*z,1/2*x-1/2*y+1/2*z,1/2*x+1/2*y-1/2*z)", "hermann_mauguin": "I -1", "ncsym": ["x,y,z", "-x,-y,-z"], "short_h_m": "I-1", "hermann_mauguin_u": "I-1", "point_group": "-1"}, {"symops": ["x, y, z", "y, x, -z+1/2", "x+2/3, y+1/3, z+1/3", "y+2/3, x+1/3, -z+5/6", "x+1/3, y+2/3, z+2/3", "y+1/3, x+2/3, -z+7/6", "-x, -y, -z", "-y, -x, z-1/2", "-x+2/3, -y+1/3, -z+1/3", "-y+2/3, -x+1/3, z-1/6", "-x+1/3, -y+2/3, -z+2/3", "-y+1/3, -x+2/3, z+1/6"], "universal_h_m": "R 1 2/c 1", "number": 15, "schoenflies": "C2h^6", "hall": "-C 2yc (x+y-16/3*z,-x+y+16/3*z,1/3*z)", "hermann_mauguin": "R 1 2/c 1 ", "ncsym": ["x, y, z", "y, x, -z+1/2", "-x, -y, -z", "-y, -x, z-1/2"], "short_h_m": "R2/c", "hermann_mauguin_u": "R12/c1", "point_group": "2/m"}, {"symops": ["x,y,z", "x+1/2,-y+1/2,-z+1/2", "-x,y+1/2,-z", "-x+1/2,-y,z+1/2"], "universal_h_m": "P 21 21 21 (origin shift x,y,z+1/4)", "number": 19, "schoenflies": "D2^4", "hall": " P 2ac 2ab (x,y,z+1/4)", "hermann_mauguin": "P 21 21 21 ", "ncsym": ["x,y,z", "x+1/2,-y+1/2,-z+1/2", "-x,y+1/2,-z", "-x+1/2,-y,z+1/2"], "short_h_m": "P2_12_12_1", "hermann_mauguin_u": "P2_12_12_1", "point_group": "222"}, {"symops": ["x, y, z", "-x, y+1/2, -z", "x+1/2, y, z+1/2", "-x+1/2, y+1/2, -z+1/2"], "universal_h_m": "B 1 21 1", "number": 4, "schoenflies": "C2^2", "hall": "P 2yb (1/2*x,y,-1/2*x+z)", "hermann_mauguin": "B 1 21 1", "ncsym": ["x, y, z", "-x, y+1/2, -z"], "short_h_m": "B2_1", "hermann_mauguin_u": "B12_11", "point_group": "2"}, {"symops": ["x, y, z", "x+1/2, y+1/2, z", "-x, -y, -z", "-x+1/2, -y+1/2, -z"], "universal_h_m": "C -1", "number": 2, "schoenflies": "Ci^1", "hall": "-P 1 (1/2*x+1/2*y,1/2*x-1/2*y,-z)", "hermann_mauguin": "C -1", "ncsym": ["x, y, z", "-x, -y, -z"], "short_h_m": "C-1", "hermann_mauguin_u": "C-1", "point_group": "-1"}, {"symops": ["x,y,z", "-x,y+1/2,-z", "-x,-y,-z", "x,-y-1/2,z", "x+1/2,y,z+1/2", "-x+1/2,y+1/2,-z+1/2", "-x+1/2,-y,-z+1/2", "x+1/2,-y-1/2,z+1/2"], "universal_h_m": "B 1 21/m 1", "number": 11, "schoenflies": "C2h^2", "hall": "-P 2yb (1/2*x,y,-1/2*x+z)", "hermann_mauguin": "B 1 21/m 1", "ncsym": ["x,y,z", "-x,y+1/2,-z", "-x,-y,-z", "x,-y-1/2,z", "x+1/2,y,z+1/2", "-x+1/2,y+1/2,-z+1/2", "-x+1/2,-y,-z+1/2", "x+1/2,-y-1/2,z+1/2"], "short_h_m": "B2_1/m", "hermann_mauguin_u": "B12_1/m1", "point_group": "2/m"}, {"symops": ["x,y,z", "x,y+1/2,z+1/2"], "universal_h_m": "P 1 (-a,-b+c,b+c)", "number": 1, "schoenflies": "C1^1", "hall": " P 1 (-x,-1/2*y+1/2*z,1/2*y+1/2*z)", "hermann_mauguin": "P 1 ", "ncsym": ["x,y,z"], "short_h_m": "P1", "hermann_mauguin_u": "P1", "point_group": "1"}, {"symops": ["x,y,z", "x+1/2,y,z+1/2"], "universal_h_m": "P 1 (-a+c,-b,a+c)", "number": 1, "schoenflies": "C1^1", "hall": " P 1 (-1/2*x+1/2*z,-y,1/2*x+1/2*z)", "hermann_mauguin": "P 1 ", "ncsym": ["x,y,z"], "short_h_m": "P1", "hermann_mauguin_u": "P1", "point_group": "1"}, {"symops": ["x,y,z", "x+1/2,y+1/2,z+1/2"], "universal_h_m": "P 1 (b+c,a+c,a+b)", "number": 1, "schoenflies": "C1^1", "hall": " P 1 (-1/2*x+1/2*y+1/2*z,1/2*x-1/2*y+1/2*z,1/2*x+1/2*y-1/2*z)", "hermann_mauguin": "P 1 ", "ncsym": ["x,y,z"], "short_h_m": "P1", "hermann_mauguin_u": "P1", "point_group": "1"}, {"symops": ["x,y,z", "x,y+1/2,z+1/2", "x+1/2,y,z+1/2", "x+1/2,y+1/2,z"], "universal_h_m": "P 1 (-a+b+c,a-b+c,a+b-c)", "number": 1, "schoenflies": "C1^1", "hall": " P 1 (1/2*y+1/2*z,1/2*x+1/2*z,1/2*x+1/2*y)", "hermann_mauguin": "P 1 ", "ncsym": ["x,y,z"], "short_h_m": "P1", "hermann_mauguin_u": "P1", "point_group": "1"}, {"symops": ["x,y,z", "-x,-y,-z", "x,y+1/2,z+1/2", "-x,-y+1/2,-z+1/2", "x+1/2,y,z+1/2", "-x+1/2,-y,-z+1/2", "x+1/2,y+1/2,z", "-x+1/2,-y+1/2,-z"], "universal_h_m": "P -1 (-a+b+c,a-b+c,a+b-c)", "number": 2, "schoenflies": "Ci^1", "hall": "-P 1 (1/2*y+1/2*z,1/2*x+1/2*z,1/2*x+1/2*y)", "hermann_mauguin": "P -1 ", "ncsym": ["x,y,z", "-x,-y,-z"], "short_h_m": "P-1", "hermann_mauguin_u": "P-1", "point_group": "-1"}, {"symops": ["x,y,z", "-x,y,-z", "x+1/2,y,z+1/2", "-x+1/2,y,-z+1/2"], "universal_h_m": "P 1 2 1 (2*a+c,b,c)", "number": 3, "schoenflies": "C2^1", "hall": " P 2y (1/2*x,y,-1/2*x+z)", "hermann_mauguin": "P 1 2 1 ", "ncsym": ["x,y,z", "-x,y,-z"], "short_h_m": "P2", "hermann_mauguin_u": "P121", "point_group": "2"}, {"symops": ["x,y,z", "-x,y,-z", "x+1/2,y,z+1/2", "-x+1/2,y,-z+1/2", "x+1/2,y+1/2,z", "-x+1/2,y+1/2,-z", "x,y+1/2,z+1/2", "-x,y+1/2,-z+1/2"], "universal_h_m": "C 1 2 1 (a,b,a+2*c)", "number": 5, "schoenflies": "C2^3", "hall": " C 2y (x-1/2*z,y,1/2*z)", "hermann_mauguin": "C 1 2 1 ", "ncsym": ["x,y,z", "-x,y,-z"], "short_h_m": "C2", "hermann_mauguin_u": "C121", "point_group": "2"}, {"symops": ["x,y,z", "-x,-y,z", "x+1/2,y+1/2,z", "-x+1/2,-y+1/2,z"], "universal_h_m": "P 1 2 1 (c,2*a+c,b)", "number": 3, "schoenflies": "C2^1", "hall": " P 2y (-1/2*x+z,1/2*x,y)", "hermann_mauguin": "P 1 2 1 ", "ncsym": ["x,y,z", "-x,-y,z"], "short_h_m": "P2", "hermann_mauguin_u": "P121", "point_group": "2"}, {"symops": ["x,y,z", "-x,-y,z", "x+1/2,y+1/2,z", "-x+1/2,-y+1/2,z", "x,y+1/2,z+1/2", "-x,-y+1/2,z+1/2", "x+1/2,y,z+1/2", "-x+1/2,-y,z+1/2"], "universal_h_m": "C 1 2 1 (a+2*c,a,b)", "number": 5, "schoenflies": "C2^3", "hall": " C 2y (1/2*z,x-1/2*z,y)", "hermann_mauguin": "C 1 2 1 ", "ncsym": ["x,y,z", "-x,-y,z"], "short_h_m": "C2", "hermann_mauguin_u": "C121", "point_group": "2"}, {"symops": ["x,y,z", "-x,y,-z+1/2", "x,y+1/2,z+1/2", "-x,y+1/2,-z"], "universal_h_m": "C 1 2 1 (c-1/4,b-1/4,-a)", "number": 5, "schoenflies": "C2^3", "hall": " C 2y (z,y+1/4,-x-1/4)", "hermann_mauguin": "C 1 2 1 ", "ncsym": ["x,y,z", "-x,y+1/2,-z"], "short_h_m": "C2", "hermann_mauguin_u": "C121", "point_group": "2"}, {"symops": ["x,y,z", "-x+1/2,y,-z", "x+1/2,y+1/2,z", "-x,y+1/2,-z"], "universal_h_m": "C 1 2 1 (a-1/4,b-1/4,c)", "number": 5, "schoenflies": "C2^3", "hall": " C 2y (x+1/4,y+1/4,z)", "hermann_mauguin": "C 1 2 1 ", "ncsym": ["x,y,z", "-x,y+1/2,-z"], "short_h_m": "C2", "hermann_mauguin_u": "C121", "point_group": "2"}, {"symops": ["x,y,z", "-x+1/2,y,-z+1/2", "x+1/2,y+1/2,z+1/2", "-x,y+1/2,-z"], "universal_h_m": "C 1 2 1 (a+c-1/4,b-1/4,c)", "number": 5, "schoenflies": "C2^3", "hall": " C 2y (x+1/4,y+1/4,-x+z-1/4)", "hermann_mauguin": "C 1 2 1 ", "ncsym": ["x,y,z", "-x,y+1/2,-z"], "short_h_m": "C2", "hermann_mauguin_u": "C121", "point_group": "2"}, {"symops": ["x,y,z", "-x+1/2,y,-z", "x+1/2,y,z+1/2", "-x,y,-z+1/2", "x+1/2,y+1/2,z", "-x,y+1/2,-z", "x,y+1/2,z+1/2", "-x+1/2,y+1/2,-z+1/2"], "universal_h_m": "C 1 2 1 (a-1/4,b-1/4,a+2*c)", "number": 5, "schoenflies": "C2^3", "hall": " C 2y (x-1/2*z+1/4,y+1/4,1/2*z)", "hermann_mauguin": "C 1 2 1 ", "ncsym": ["x,y,z", "-x,y+1/2,-z"], "short_h_m": "C2", "hermann_mauguin_u": "C121", "point_group": "2"}, {"symops": ["x,y,z", "-x,-y+1/2,z", "x,y+1/2,z+1/2", "-x,-y,z+1/2"], "universal_h_m": "C 1 2 1 (c-1/4,a-1/4,b)", "number": 5, "schoenflies": "C2^3", "hall": " C 2y (z,x+1/4,y+1/4)", "hermann_mauguin": "C 1 2 1 ", "ncsym": ["x,y,z", "-x,-y,z+1/2"], "short_h_m": "C2", "hermann_mauguin_u": "C121", "point_group": "2"}, {"symops": ["x,y,z", "-x+1/2,-y,z", "x+1/2,y,z+1/2", "-x,-y,z+1/2"], "universal_h_m": "C 1 2 1 (-a-1/4,c-1/4,b)", "number": 5, "schoenflies": "C2^3", "hall": " C 2y (-x-1/4,z,y+1/4)", "hermann_mauguin": "C 1 2 1 ", "ncsym": ["x,y,z", "-x,-y,z+1/2"], "short_h_m": "C2", "hermann_mauguin_u": "C121", "point_group": "2"}, {"symops": ["x,y,z", "-x,-y,z+1/2", "x+1/2,y+1/2,z", "-x+1/2,-y+1/2,z+1/2"], "universal_h_m": "P 1 21 1 (c,2*a+c,b)", "number": 4, "schoenflies": "C2^2", "hall": " P 2yb (-1/2*x+z,1/2*x,y)", "hermann_mauguin": "P 1 21 1 ", "ncsym": ["x,y,z", "-x,-y,z+1/2"], "short_h_m": "P2_1", "hermann_mauguin_u": "P12_11", "point_group": "2"}, {"symops": ["x,y,z", "-x+1/2,-y+1/2,z", "x+1/2,y+1/2,z+1/2", "-x,-y,z+1/2"], "universal_h_m": "C 1 2 1 (c-1/4,a+c-1/4,b)", "number": 5, "schoenflies": "C2^3", "hall": " C 2y (-x+z-1/4,x+1/4,y+1/4)", "hermann_mauguin": "C 1 2 1 ", "ncsym": ["x,y,z", "-x,-y,z+1/2"], "short_h_m": "C2", "hermann_mauguin_u": "C121", "point_group": "2"}, {"symops": ["x,y,z", "-x,-y+1/2,z", "x+1/2,y+1/2,z", "-x+1/2,-y,z", "x,y+1/2,z+1/2", "-x,-y,z+1/2", "x+1/2,y,z+1/2", "-x+1/2,-y+1/2,z+1/2"], "universal_h_m": "C 1 2 1 (a+2*c-1/4,a-1/4,b)", "number": 5, "schoenflies": "C2^3", "hall": " C 2y (1/2*z,x-1/2*z+1/4,y+1/4)", "hermann_mauguin": "C 1 2 1 ", "ncsym": ["x,y,z", "-x,-y,z+1/2"], "short_h_m": "C2", "hermann_mauguin_u": "C121", "point_group": "2"}, {"symops": ["x,y,z", "x,-y,z", "x+1/2,y,z+1/2", "x+1/2,-y,z+1/2"], "universal_h_m": "P 1 m 1 (2*a+c,b,c)", "number": 6, "schoenflies": "Cs^1", "hall": " P -2y (1/2*x,y,-1/2*x+z)", "hermann_mauguin": "P 1 m 1 ", "ncsym": ["x,y,z", "x,-y,z"], "short_h_m": "Pm", "hermann_mauguin_u": "P1m1", "point_group": "m"}, {"symops": ["x,y,z", "x,-y,z", "x+1/2,y,z+1/2", "x+1/2,-y,z+1/2", "x+1/2,y+1/2,z", "x+1/2,-y+1/2,z", "x,y+1/2,z+1/2", "x,-y+1/2,z+1/2"], "universal_h_m": "C 1 m 1 (a,b,a+2*c)", "number": 8, "schoenflies": "Cs^3", "hall": " C -2y (x-1/2*z,y,1/2*z)", "hermann_mauguin": "C 1 m 1 ", "ncsym": ["x,y,z", "x,-y,z"], "short_h_m": "Cm", "hermann_mauguin_u": "C1m1", "point_group": "m"}, {"symops": ["x,y,z", "x,y,-z", "x+1/2,y+1/2,z", "x+1/2,y+1/2,-z"], "universal_h_m": "P 1 m 1 (c,2*a+c,b)", "number": 6, "schoenflies": "Cs^1", "hall": " P -2y (-1/2*x+z,1/2*x,y)", "hermann_mauguin": "P 1 m 1 ", "ncsym": ["x,y,z", "x,y,-z"], "short_h_m": "Pm", "hermann_mauguin_u": "P1m1", "point_group": "m"}, {"symops": ["x,y,z", "x,y,-z", "x+1/2,y+1/2,z", "x+1/2,y+1/2,-z", "x,y+1/2,z+1/2", "x,y+1/2,-z+1/2", "x+1/2,y,z+1/2", "x+1/2,y,-z+1/2"], "universal_h_m": "C 1 m 1 (a+2*c,a,b)", "number": 8, "schoenflies": "Cs^3", "hall": " C -2y (1/2*z,x-1/2*z,y)", "hermann_mauguin": "C 1 m 1 ", "ncsym": ["x,y,z", "x,y,-z"], "short_h_m": "Cm", "hermann_mauguin_u": "C1m1", "point_group": "m"}, {"symops": ["x,y,z", "-x,y,z", "x,y+1/2,z+1/2", "-x,y+1/2,z+1/2"], "universal_h_m": "P 1 m 1 (b,c,2*a+c)", "number": 6, "schoenflies": "Cs^1", "hall": " P -2y (y,-1/2*x+z,1/2*x)", "hermann_mauguin": "P 1 m 1 ", "ncsym": ["x,y,z", "-x,y,z"], "short_h_m": "Pm", "hermann_mauguin_u": "P1m1", "point_group": "m"}, {"symops": ["x,y,z", "-x,y,z", "x,y+1/2,z+1/2", "-x,y+1/2,z+1/2", "x+1/2,y,z+1/2", "-x+1/2,y,z+1/2", "x+1/2,y+1/2,z", "-x+1/2,y+1/2,z"], "universal_h_m": "C 1 m 1 (b,a+2*c,a)", "number": 8, "schoenflies": "Cs^3", "hall": " C -2y (y,1/2*z,x-1/2*z)", "hermann_mauguin": "C 1 m 1 ", "ncsym": ["x,y,z", "-x,y,z"], "short_h_m": "Cm", "hermann_mauguin_u": "C1m1", "point_group": "m"}, {"symops": ["x,y,z", "x,-y+1/2,z", "x,y+1/2,z+1/2", "x,-y,z+1/2"], "universal_h_m": "C 1 m 1 (c-1/4,b-1/4,-a)", "number": 8, "schoenflies": "Cs^3", "hall": " C -2y (z,y+1/4,-x-1/4)", "hermann_mauguin": "C 1 m 1 ", "ncsym": ["x,y,z", "x,-y,z+1/2"], "short_h_m": "Cm", "hermann_mauguin_u": "C1m1", "point_group": "m"}, {"symops": ["x,y,z", "x,-y,z+1/2", "x+1/2,y,z+1/2", "x+1/2,-y,z"], "universal_h_m": "P 1 c 1 (2*a+c,b,c)", "number": 7, "schoenflies": "Cs^2", "hall": " P -2yc (1/2*x,y,-1/2*x+z)", "hermann_mauguin": "P 1 c 1 ", "ncsym": ["x,y,z", "x,-y,z+1/2"], "short_h_m": "Pc", "hermann_mauguin_u": "P1c1", "point_group": "m"}, {"symops": ["x,y,z", "x,-y+1/2,z", "x+1/2,y,z+1/2", "x+1/2,-y+1/2,z+1/2", "x+1/2,y+1/2,z", "x+1/2,-y,z", "x,y+1/2,z+1/2", "x,-y,z+1/2"], "universal_h_m": "C 1 m 1 (a-1/4,b-1/4,a+2*c)", "number": 8, "schoenflies": "Cs^3", "hall": " C -2y (x-1/2*z+1/4,y+1/4,1/2*z)", "hermann_mauguin": "C 1 m 1 ", "ncsym": ["x,y,z", "x,-y,z+1/2"], "short_h_m": "Cm", "hermann_mauguin_u": "C1m1", "point_group": "m"}, {"symops": ["x,y,z", "x,-y+1/2,z", "x+1/2,y+1/2,z+1/2", "x+1/2,-y,z+1/2"], "universal_h_m": "C 1 m 1 (a+c-1/4,b-1/4,c)", "number": 8, "schoenflies": "Cs^3", "hall": " C -2y (x+1/4,y+1/4,-x+z-1/4)", "hermann_mauguin": "C 1 m 1 ", "ncsym": ["x,y,z", "x+1/2,-y,z+1/2"], "short_h_m": "Cm", "hermann_mauguin_u": "C1m1", "point_group": "m"}, {"symops": ["x,y,z", "x,-y+1/2,z", "x+1/2,y+1/2,z", "x+1/2,-y,z"], "universal_h_m": "C 1 m 1 (a-1/4,b-1/4,c)", "number": 8, "schoenflies": "Cs^3", "hall": " C -2y (x+1/4,y+1/4,z)", "hermann_mauguin": "C 1 m 1 ", "ncsym": ["x,y,z", "x+1/2,-y,z"], "short_h_m": "Cm", "hermann_mauguin_u": "C1m1", "point_group": "m"}, {"symops": ["x,y,z", "x,y,-z+1/2", "x+1/2,y,z+1/2", "x+1/2,y,-z"], "universal_h_m": "C 1 m 1 (-a-1/4,c-1/4,b)", "number": 8, "schoenflies": "Cs^3", "hall": " C -2y (-x-1/4,z,y+1/4)", "hermann_mauguin": "C 1 m 1 ", "ncsym": ["x,y,z", "x+1/2,y,-z"], "short_h_m": "Cm", "hermann_mauguin_u": "C1m1", "point_group": "m"}, {"symops": ["x,y,z", "x+1/2,y,-z", "x+1/2,y+1/2,z", "x,y+1/2,-z"], "universal_h_m": "P 1 c 1 (c,2*a+c,b)", "number": 7, "schoenflies": "Cs^2", "hall": " P -2yc (-1/2*x+z,1/2*x,y)", "hermann_mauguin": "P 1 c 1 ", "ncsym": ["x,y,z", "x+1/2,y,-z"], "short_h_m": "Pc", "hermann_mauguin_u": "P1c1", "point_group": "m"}, {"symops": ["x,y,z", "x,y,-z+1/2", "x+1/2,y+1/2,z", "x+1/2,y+1/2,-z+1/2", "x,y+1/2,z+1/2", "x,y+1/2,-z", "x+1/2,y,z+1/2", "x+1/2,y,-z"], "universal_h_m": "C 1 m 1 (a+2*c-1/4,a-1/4,b)", "number": 8, "schoenflies": "Cs^3", "hall": " C -2y (1/2*z,x-1/2*z+1/4,y+1/4)", "hermann_mauguin": "C 1 m 1 ", "ncsym": ["x,y,z", "x+1/2,y,-z"], "short_h_m": "Cm", "hermann_mauguin_u": "C1m1", "point_group": "m"}, {"symops": ["x,y,z", "x,y,-z+1/2", "x+1/2,y+1/2,z+1/2", "x+1/2,y+1/2,-z"], "universal_h_m": "C 1 m 1 (c-1/4,a+c-1/4,b)", "number": 8, "schoenflies": "Cs^3", "hall": " C -2y (-x+z-1/4,x+1/4,y+1/4)", "hermann_mauguin": "C 1 m 1 ", "ncsym": ["x,y,z", 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"point_group": "2/m"}, {"symops": ["x,y,z", "x,-y,-z", "-x,-y,-z", "-x,y,z", "x,y+1/2,z+1/2", "x,-y+1/2,-z+1/2", "-x,-y+1/2,-z+1/2", "-x,y+1/2,z+1/2"], "universal_h_m": "P 1 2/m 1 (b,c,2*a+c)", "number": 10, "schoenflies": "C2h^1", "hall": "-P 2y (y,-1/2*x+z,1/2*x)", "hermann_mauguin": "P 1 2/m 1 ", "ncsym": ["x,y,z", "x,-y,-z", "-x,-y,-z", "-x,y,z"], "short_h_m": "P2/m", "hermann_mauguin_u": "P12/m1", "point_group": "2/m"}, {"symops": ["x,y,z", "x,-y,-z", "-x,-y,-z", "-x,y,z", "x,y+1/2,z+1/2", "x,-y+1/2,-z+1/2", "-x,-y+1/2,-z+1/2", "-x,y+1/2,z+1/2", "x+1/2,y,z+1/2", "x+1/2,-y,-z+1/2", "-x+1/2,-y,-z+1/2", "-x+1/2,y,z+1/2", "x+1/2,y+1/2,z", "x+1/2,-y+1/2,-z", "-x+1/2,-y+1/2,-z", "-x+1/2,y+1/2,z"], "universal_h_m": "C 1 2/m 1 (b,a+2*c,a)", "number": 12, "schoenflies": "C2h^3", "hall": "-C 2y (y,1/2*z,x-1/2*z)", "hermann_mauguin": "C 1 2/m 1 ", "ncsym": ["x,y,z", "x,-y,-z", "-x,-y,-z", "-x,y,z"], "short_h_m": "C2/m", "hermann_mauguin_u": "C12/m1", "point_group": "2/m"}, {"symops": 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(a+c-1/4,b+1/4,c)", "number": 12, "schoenflies": "C2h^3", "hall": "-C 2y (x+1/4,y-1/4,-x+z-1/4)", "hermann_mauguin": "C 1 2/m 1 ", "ncsym": ["x,y,z", "-x,y+1/2,-z", "-x,-y,-z", "x,-y+1/2,z"], "short_h_m": "C2/m", "hermann_mauguin_u": "C12/m1", "point_group": "2/m"}, {"symops": ["x,y,z", "-x+1/2,y,-z", "-x+1/2,-y+1/2,-z", "x,-y+1/2,z", "x+1/2,y,z+1/2", "-x,y,-z+1/2", "-x,-y+1/2,-z+1/2", "x+1/2,-y+1/2,z+1/2", "x+1/2,y+1/2,z", "-x,y+1/2,-z", "-x,-y,-z", "x+1/2,-y,z", "x,y+1/2,z+1/2", "-x+1/2,y+1/2,-z+1/2", "-x+1/2,-y,-z+1/2", "x,-y,z+1/2"], "universal_h_m": "C 1 2/m 1 (a-1/4,b+1/4,a+2*c)", "number": 12, "schoenflies": "C2h^3", "hall": "-C 2y (x-1/2*z+1/4,y-1/4,1/2*z)", "hermann_mauguin": "C 1 2/m 1 ", "ncsym": ["x,y,z", "-x,y+1/2,-z", "-x,-y,-z", "x,-y+1/2,z"], "short_h_m": "C2/m", "hermann_mauguin_u": "C12/m1", "point_group": "2/m"}, {"symops": ["x,y,z", "-x,-y+1/2,z", "-x,-y+1/2,-z+1/2", "x,y,-z+1/2", "x,y+1/2,z+1/2", "-x,-y,z+1/2", "-x,-y,-z", "x,y+1/2,-z"], "universal_h_m": "C 1 2/m 1 (c-1/4,a+1/4,b)", "number": 12, "schoenflies": "C2h^3", "hall": "-C 2y (z,x+1/4,y-1/4)", "hermann_mauguin": "C 1 2/m 1 ", "ncsym": ["x,y,z", "-x,-y,z+1/2", "-x,-y,-z", "x,y,-z+1/2"], "short_h_m": "C2/m", "hermann_mauguin_u": "C12/m1", "point_group": "2/m"}, {"symops": ["x,y,z", "-x+1/2,-y,z", "-x+1/2,-y,-z+1/2", "x,y,-z+1/2", "x+1/2,y,z+1/2", "-x,-y,z+1/2", "-x,-y,-z", "x+1/2,y,-z"], "universal_h_m": "C 1 2/m 1 (-a-1/4,c+1/4,b)", "number": 12, "schoenflies": "C2h^3", "hall": "-C 2y (-x-1/4,z,y-1/4)", "hermann_mauguin": "C 1 2/m 1 ", "ncsym": ["x,y,z", "-x,-y,z+1/2", "-x,-y,-z", "x,y,-z+1/2"], "short_h_m": "C2/m", "hermann_mauguin_u": "C12/m1", "point_group": "2/m"}, {"symops": ["x,y,z", "-x,-y,z+1/2", "-x,-y,-z", "x,y,-z+1/2", "x+1/2,y+1/2,z", "-x+1/2,-y+1/2,z+1/2", "-x+1/2,-y+1/2,-z", "x+1/2,y+1/2,-z+1/2"], "universal_h_m": "P 1 21/m 1 (c,2*a+c,b)", "number": 11, "schoenflies": "C2h^2", "hall": "-P 2yb (-1/2*x+z,1/2*x,y)", "hermann_mauguin": "P 1 21/m 1 ", "ncsym": ["x,y,z", "-x,-y,z+1/2", "-x,-y,-z", "x,y,-z+1/2"], "short_h_m": "P2_1/m", "hermann_mauguin_u": "P12_1/m1", "point_group": "2/m"}, {"symops": ["x,y,z", "-x+1/2,-y+1/2,z", "-x+1/2,-y+1/2,-z+1/2", "x,y,-z+1/2", "x+1/2,y+1/2,z+1/2", "-x,-y,z+1/2", "-x,-y,-z", "x+1/2,y+1/2,-z"], "universal_h_m": "C 1 2/m 1 (c-1/4,a+c+1/4,b)", "number": 12, "schoenflies": "C2h^3", "hall": "-C 2y (-x+z-1/4,x+1/4,y-1/4)", "hermann_mauguin": "C 1 2/m 1 ", "ncsym": ["x,y,z", "-x,-y,z+1/2", "-x,-y,-z", "x,y,-z+1/2"], "short_h_m": "C2/m", "hermann_mauguin_u": "C12/m1", "point_group": "2/m"}, {"symops": ["x,y,z", "-x,-y+1/2,z", "-x,-y+1/2,-z+1/2", "x,y,-z+1/2", "x+1/2,y+1/2,z", "-x+1/2,-y,z", "-x+1/2,-y,-z+1/2", "x+1/2,y+1/2,-z+1/2", "x,y+1/2,z+1/2", "-x,-y,z+1/2", "-x,-y,-z", "x,y+1/2,-z", "x+1/2,y,z+1/2", "-x+1/2,-y+1/2,z+1/2", "-x+1/2,-y+1/2,-z", "x+1/2,y,-z"], "universal_h_m": "C 1 2/m 1 (a+2*c-1/4,a+1/4,b)", "number": 12, "schoenflies": "C2h^3", "hall": "-C 2y (1/2*z,x-1/2*z+1/4,y-1/4)", "hermann_mauguin": "C 1 2/m 1 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{"symops": ["x,y,z", "x,-y+1/2,-z", "-x+1/2,-y+1/2,-z", "-x+1/2,y,z", "x+1/2,y+1/2,z", "x+1/2,-y,-z", "-x,-y,-z", "-x,y+1/2,z"], "universal_h_m": "C 1 2/m 1 (b-1/4,-a+1/4,c)", "number": 12, "schoenflies": "C2h^3", "hall": "-C 2y (y-1/4,-x-1/4,z)", "hermann_mauguin": "C 1 2/m 1 ", "ncsym": ["x,y,z", "x+1/2,-y,-z", "-x,-y,-z", "-x+1/2,y,z"], "short_h_m": "C2/m", "hermann_mauguin_u": "C12/m1", "point_group": "2/m"}, {"symops": ["x,y,z", "x,-y+1/2,-z+1/2", "-x+1/2,-y+1/2,-z+1/2", "-x+1/2,y,z", "x+1/2,y+1/2,z+1/2", "x+1/2,-y,-z", "-x,-y,-z", "-x,y+1/2,z+1/2"], "universal_h_m": "C 1 2/m 1 (b-1/4,c+1/4,a+c)", "number": 12, "schoenflies": "C2h^3", "hall": "-C 2y (y-1/4,-x+z-1/4,x+1/4)", "hermann_mauguin": "C 1 2/m 1 ", "ncsym": ["x,y,z", "x+1/2,-y,-z", "-x,-y,-z", "-x+1/2,y,z"], "short_h_m": "C2/m", "hermann_mauguin_u": "C12/m1", "point_group": "2/m"}, {"symops": ["x,y,z", "x,-y,-z+1/2", "-x+1/2,-y,-z+1/2", "-x+1/2,y,z", "x,y+1/2,z+1/2", "x,-y+1/2,-z", "-x+1/2,-y+1/2,-z", "-x+1/2,y+1/2,z+1/2", "x+1/2,y,z+1/2", "x+1/2,-y,-z", "-x,-y,-z", "-x,y,z+1/2", "x+1/2,y+1/2,z", "x+1/2,-y+1/2,-z+1/2", "-x,-y+1/2,-z+1/2", "-x,y+1/2,z"], "universal_h_m": "C 1 2/m 1 (b-1/4,a+2*c+1/4,a)", "number": 12, "schoenflies": "C2h^3", "hall": "-C 2y (y-1/4,1/2*z,x-1/2*z+1/4)", "hermann_mauguin": "C 1 2/m 1 ", "ncsym": ["x,y,z", "x+1/2,-y,-z", "-x,-y,-z", "-x+1/2,y,z"], "short_h_m": "C2/m", "hermann_mauguin_u": "C12/m1", "point_group": "2/m"}, {"symops": ["x,y,z", "-x,y,-z+1/2", "-x,-y,-z", "x,-y,z+1/2", "x+1/2,y,z+1/2", "-x+1/2,y,-z", "-x+1/2,-y,-z+1/2", "x+1/2,-y,z"], "universal_h_m": "P 1 2/c 1 (2*a+c,b,c)", "number": 13, "schoenflies": "C2h^4", "hall": "-P 2yc (1/2*x,y,-1/2*x+z)", "hermann_mauguin": "P 1 2/c 1 ", "ncsym": ["x,y,z", "-x,y,-z+1/2", "-x,-y,-z", "x,-y,z+1/2"], "short_h_m": "P2/c", "hermann_mauguin_u": "P12/c1", "point_group": "2/m"}, {"symops": ["x,y,z", "-x+1/2,-y,z", "-x,-y,-z", "x+1/2,y,-z", "x+1/2,y+1/2,z", "-x,-y+1/2,z", "-x+1/2,-y+1/2,-z", "x,y+1/2,-z"], "universal_h_m": "P 1 2/c 1 (c,2*a+c,b)", "number": 13, "schoenflies": "C2h^4", "hall": "-P 2yc (-1/2*x+z,1/2*x,y)", "hermann_mauguin": "P 1 2/c 1 ", "ncsym": ["x,y,z", "-x+1/2,-y,z", "-x,-y,-z", "x+1/2,y,-z"], "short_h_m": "P2/c", "hermann_mauguin_u": "P12/c1", "point_group": "2/m"}, {"symops": ["x,y,z", "x,-y+1/2,-z", "-x,-y,-z", "-x,y+1/2,z", "x,y+1/2,z+1/2", "x,-y,-z+1/2", "-x,-y+1/2,-z+1/2", "-x,y,z+1/2"], "universal_h_m": "P 1 2/c 1 (b,c,2*a+c)", "number": 13, "schoenflies": "C2h^4", "hall": "-P 2yc (y,-1/2*x+z,1/2*x)", "hermann_mauguin": "P 1 2/c 1 ", "ncsym": ["x,y,z", "x,-y+1/2,-z", "-x,-y,-z", "-x,y+1/2,z"], "short_h_m": "P2/c", "hermann_mauguin_u": "P12/c1", "point_group": "2/m"}, {"symops": ["x,y,z", "-x,y+1/2,-z+1/2", "-x,-y,-z", "x,-y+1/2,z+1/2", "x+1/2,y,z+1/2", "-x+1/2,y+1/2,-z", "-x+1/2,-y,-z+1/2", "x+1/2,-y+1/2,z"], "universal_h_m": "P 1 21/c 1 (2*a+c,b,c)", "number": 14, "schoenflies": "C2h^5", "hall": "-P 2ybc (1/2*x,y,-1/2*x+z)", "hermann_mauguin": "P 1 21/c 1 ", "ncsym": ["x,y,z", 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"point_group": "2/m"}, {"symops": ["x,y,z", "-x,-y+1/2,z", "-x,y,z", "x,-y+1/2,z", "x,y+1/2,z+1/2", "-x,-y,z+1/2", "-x,y+1/2,z+1/2", "x,-y,z+1/2"], "universal_h_m": "A m m 2 (a,b+1/4,c-1/4)", "number": 38, "schoenflies": "C2v^14", "hall": " A 2 -2 (x,y-1/4,z+1/4)", "hermann_mauguin": "A m m 2 ", "ncsym": ["x,y,z", "-x,-y,z+1/2", "-x,y,z", "x,-y,z+1/2"], "short_h_m": "Amm2", "hermann_mauguin_u": "Amm2", "point_group": "mm2"}, {"symops": ["x,y,z", "-x+1/2,-y,z", "x+1/2,-y,z", "-x,y,z", "x+1/2,y,z+1/2", "-x,-y,z+1/2", "x,-y,z+1/2", "-x+1/2,y,z+1/2"], "universal_h_m": "A e m 2 (b,-a+1/4,c-1/4)", "number": 39, "schoenflies": "C2v^15", "hall": " A 2 -2b (y-1/4,-x,z+1/4)", "hermann_mauguin": "A e m 2 ", "ncsym": ["x,y,z", "-x,-y,z+1/2", "-x,y,z", "x,-y,z+1/2"], "short_h_m": "Aem2", "hermann_mauguin_u": "Aem2", "point_group": "mm2"}, {"symops": ["x,y,z", "-x+1/2,-y+1/2,z", "-x,y,z", "x+1/2,-y+1/2,z", "x+1/2,y+1/2,z+1/2", "-x,-y,z+1/2", "-x+1/2,y+1/2,z+1/2", "x,-y,z+1/2"], "universal_h_m": "I m a 2 (a-1/4,b-1/4,c+1/4)", "number": 46, "schoenflies": "C2v^22", "hall": " I 2 -2a (x+1/4,y+1/4,z-1/4)", "hermann_mauguin": "I m a 2 ", "ncsym": ["x,y,z", "-x,-y,z+1/2", "-x,y,z", "x,-y,z+1/2"], "short_h_m": "Ima2", "hermann_mauguin_u": "Ima2", "point_group": "mm2"}, {"symops": ["x,y,z", "-x,-y+1/2,z", "-x,y,z", "x,-y+1/2,z", "x,y+1/2,z+1/2", "-x,-y,z+1/2", "-x,y+1/2,z+1/2", "x,-y,z+1/2", "x+1/2,y,z+1/2", "-x+1/2,-y+1/2,z+1/2", "-x+1/2,y,z+1/2", "x+1/2,-y+1/2,z+1/2", "x+1/2,y+1/2,z", "-x+1/2,-y,z", "-x+1/2,y+1/2,z", "x+1/2,-y,z"], "universal_h_m": "F m m 2 (a,b-1/4,c-1/4)", "number": 42, "schoenflies": "C2v^18", "hall": " F 2 -2 (x,y+1/4,z+1/4)", "hermann_mauguin": "F m m 2 ", "ncsym": ["x,y,z", "-x,-y,z+1/2", "-x,y,z", "x,-y,z+1/2"], "short_h_m": "Fmm2", "hermann_mauguin_u": "Fmm2", "point_group": "mm2"}, {"symops": ["x,y,z", "-x,-y+1/2,z", "-x,y+1/2,z", "x,-y,z", "x,y+1/2,z+1/2", "-x,-y,z+1/2", "-x,y,z+1/2", "x,-y+1/2,z+1/2"], "universal_h_m": "A e m 2 (a,b+1/4,c-1/4)", "number": 39, "schoenflies": "C2v^15", "hall": " A 2 -2b (x,y-1/4,z+1/4)", "hermann_mauguin": "A e m 2 ", "ncsym": ["x,y,z", "-x,-y,z+1/2", "-x,y,z+1/2", "x,-y,z"], "short_h_m": "Aem2", "hermann_mauguin_u": "Aem2", "point_group": "mm2"}, {"symops": ["x,y,z", "-x+1/2,-y,z", "x,-y,z", "-x+1/2,y,z", "x+1/2,y,z+1/2", "-x,-y,z+1/2", "x+1/2,-y,z+1/2", "-x,y,z+1/2"], "universal_h_m": "A m m 2 (b,-a+1/4,c-1/4)", "number": 38, "schoenflies": "C2v^14", "hall": " A 2 -2 (y-1/4,-x,z+1/4)", "hermann_mauguin": "A m m 2 ", "ncsym": ["x,y,z", "-x,-y,z+1/2", "-x,y,z+1/2", "x,-y,z"], "short_h_m": "Amm2", "hermann_mauguin_u": "Amm2", "point_group": "mm2"}, {"symops": ["x,y,z", "-x+1/2,-y+1/2,z", "x,-y,z", "-x+1/2,y+1/2,z", "x+1/2,y+1/2,z+1/2", "-x,-y,z+1/2", "x+1/2,-y+1/2,z+1/2", "-x,y,z+1/2"], "universal_h_m": "I m a 2 (b-1/4,-a-1/4,c+1/4)", "number": 46, "schoenflies": "C2v^22", "hall": " I 2 -2a (y+1/4,-x-1/4,z-1/4)", "hermann_mauguin": "I m a 2 ", "ncsym": ["x,y,z", "-x,-y,z+1/2", "-x,y,z+1/2", "x,-y,z"], "short_h_m": "Ima2", "hermann_mauguin_u": "Ima2", "point_group": "mm2"}, {"symops": ["x,y,z", "-x+1/2,-y,z", "-x+1/2,y,z", "x,-y,z", "x,y+1/2,z+1/2", "-x+1/2,-y+1/2,z+1/2", "-x+1/2,y+1/2,z+1/2", "x,-y+1/2,z+1/2", "x+1/2,y,z+1/2", "-x,-y,z+1/2", "-x,y,z+1/2", "x+1/2,-y,z+1/2", "x+1/2,y+1/2,z", "-x,-y+1/2,z", "-x,y+1/2,z", "x+1/2,-y+1/2,z"], "universal_h_m": "F m m 2 (a+1/4,b,c+1/4)", "number": 42, "schoenflies": "C2v^18", "hall": " F 2 -2 (x-1/4,y,z-1/4)", "hermann_mauguin": "F m m 2 ", "ncsym": ["x,y,z", "-x,-y,z+1/2", "-x,y,z+1/2", "x,-y,z"], "short_h_m": "Fmm2", "hermann_mauguin_u": "Fmm2", "point_group": "mm2"}, {"symops": ["x,y,z", "-x,y,-z+1/2", "-x,y,z+1/2", "x,y,-z", "x,y+1/2,z+1/2", "-x,y+1/2,-z", "-x,y+1/2,z", "x,y+1/2,-z+1/2"], "universal_h_m": "A e m 2 (-a,c+1/4,b-1/4)", "number": 39, "schoenflies": "C2v^15", "hall": " A 2 -2b (-x,z+1/4,y-1/4)", "hermann_mauguin": "A e m 2 ", "ncsym": ["x,y,z", "x,y,-z", "-x,y+1/2,z", "-x,y+1/2,-z"], "short_h_m": "Aem2", "hermann_mauguin_u": "Aem2", "point_group": "mm2"}, {"symops": ["x,y,z", "-x+1/2,y,-z", "x,y,-z", "-x+1/2,y,z", "x+1/2,y+1/2,z", "-x,y+1/2,-z", "x+1/2,y+1/2,-z", "-x,y+1/2,z"], "universal_h_m": "A m m 2 (b,c+1/4,a-1/4)", "number": 38, "schoenflies": "C2v^14", "hall": " A 2 -2 (y-1/4,z+1/4,x)", "hermann_mauguin": "A m m 2 ", "ncsym": ["x,y,z", "x,y,-z", "-x,y+1/2,z", "-x,y+1/2,-z"], "short_h_m": "Amm2", "hermann_mauguin_u": "Amm2", "point_group": "mm2"}, {"symops": ["x,y,z", "-x+1/2,y,-z+1/2", "x,y,-z", "-x+1/2,y,z+1/2", "x+1/2,y+1/2,z+1/2", "-x,y+1/2,-z", "x+1/2,y+1/2,-z+1/2", "-x,y+1/2,z"], "universal_h_m": "I m a 2 (b-1/4,c-1/4,a+1/4)", "number": 46, "schoenflies": "C2v^22", "hall": " I 2 -2a (y+1/4,z-1/4,x+1/4)", "hermann_mauguin": "I m a 2 ", "ncsym": ["x,y,z", "x,y,-z", "-x,y+1/2,z", "-x,y+1/2,-z"], "short_h_m": "Ima2", "hermann_mauguin_u": "Ima2", "point_group": "mm2"}, {"symops": ["x,y,z", "-x+1/2,y,-z", "x,y,-z", "-x+1/2,y,z", "x+1/2,y+1/2,z", "-x,y+1/2,-z", "x+1/2,y+1/2,-z", "-x,y+1/2,z", "x,y+1/2,z+1/2", "-x+1/2,y+1/2,-z+1/2", "x,y+1/2,-z+1/2", "-x+1/2,y+1/2,z+1/2", "x+1/2,y,z+1/2", "-x,y,-z+1/2", "x+1/2,y,-z+1/2", "-x,y,z+1/2"], "universal_h_m": "F m m 2 (b,c-1/4,a-1/4)", "number": 42, "schoenflies": "C2v^18", "hall": " F 2 -2 (y+1/4,z+1/4,x)", "hermann_mauguin": "F m m 2 ", "ncsym": ["x,y,z", "x,y,-z", "-x,y+1/2,z", "-x,y+1/2,-z"], "short_h_m": "Fmm2", "hermann_mauguin_u": "Fmm2", "point_group": "mm2"}, {"symops": ["x,y,z", "-x,y,-z+1/2", "-x,y,z", "x,y,-z+1/2", "x,y+1/2,z+1/2", "-x,y+1/2,-z", "-x,y+1/2,z+1/2", "x,y+1/2,-z"], "universal_h_m": "A m m 2 (-a,c+1/4,b-1/4)", "number": 38, "schoenflies": "C2v^14", "hall": " A 2 -2 (-x,z+1/4,y-1/4)", "hermann_mauguin": "A m m 2 ", "ncsym": ["x,y,z", "x,y+1/2,-z", "-x,y,z", "-x,y+1/2,-z"], "short_h_m": "Amm2", "hermann_mauguin_u": "Amm2", "point_group": "mm2"}, {"symops": ["x,y,z", "-x+1/2,y,-z", "x+1/2,y,-z", "-x,y,z", "x+1/2,y+1/2,z", "-x,y+1/2,-z", "x,y+1/2,-z", "-x+1/2,y+1/2,z"], "universal_h_m": "A e m 2 (b,c+1/4,a-1/4)", "number": 39, "schoenflies": "C2v^15", "hall": " A 2 -2b (y-1/4,z+1/4,x)", "hermann_mauguin": "A e m 2 ", "ncsym": ["x,y,z", "x,y+1/2,-z", "-x,y,z", "-x,y+1/2,-z"], "short_h_m": "Aem2", "hermann_mauguin_u": "Aem2", "point_group": "mm2"}, {"symops": ["x,y,z", "-x+1/2,y,-z+1/2", "-x,y,z", "x+1/2,y,-z+1/2", "x+1/2,y+1/2,z+1/2", "-x,y+1/2,-z", "-x+1/2,y+1/2,z+1/2", "x,y+1/2,-z"], "universal_h_m": "I m a 2 (-a-1/4,c-1/4,b+1/4)", "number": 46, "schoenflies": "C2v^22", "hall": " I 2 -2a (-x-1/4,z-1/4,y+1/4)", "hermann_mauguin": "I m a 2 ", "ncsym": ["x,y,z", "x,y+1/2,-z", "-x,y,z", "-x,y+1/2,-z"], "short_h_m": "Ima2", "hermann_mauguin_u": "Ima2", "point_group": "mm2"}, {"symops": ["x,y,z", "-x,y,-z+1/2", "x,y,-z+1/2", "-x,y,z", "x+1/2,y+1/2,z", "-x+1/2,y+1/2,-z+1/2", "x+1/2,y+1/2,-z+1/2", "-x+1/2,y+1/2,z", "x,y+1/2,z+1/2", "-x,y+1/2,-z", "x,y+1/2,-z", "-x,y+1/2,z+1/2", "x+1/2,y,z+1/2", "-x+1/2,y,-z", "x+1/2,y,-z", "-x+1/2,y,z+1/2"], "universal_h_m": "F m m 2 (b+1/4,c,a+1/4)", "number": 42, "schoenflies": "C2v^18", "hall": " F 2 -2 (y,z-1/4,x-1/4)", "hermann_mauguin": "F m m 2 ", "ncsym": ["x,y,z", "x,y+1/2,-z", "-x,y,z", "-x,y+1/2,-z"], "short_h_m": "Fmm2", "hermann_mauguin_u": "Fmm2", "point_group": "mm2"}, {"symops": ["x,y,z", "-x+1/2,-y+1/2,z", "-x+1/2,y,z", "x,-y+1/2,z", "x,y+1/2,z+1/2", "-x+1/2,-y,z+1/2", "-x+1/2,y+1/2,z+1/2", "x,-y,z+1/2", "x+1/2,y,z+1/2", "-x,-y+1/2,z+1/2", "-x,y,z+1/2", "x+1/2,-y+1/2,z+1/2", "x+1/2,y+1/2,z", "-x,-y,z", "-x,y+1/2,z", "x+1/2,-y,z"], "universal_h_m": "F m m 2 (a+1/4,b+1/4,c+1/2)", "number": 42, "schoenflies": "C2v^18", "hall": " F 2 -2 (x-1/4,y-1/4,z+1/2)", "hermann_mauguin": "F m m 2 ", "ncsym": ["x,y,z", "-x,-y,z", "-x,y,z+1/2", "x,-y,z+1/2"], "short_h_m": "Fmm2", "hermann_mauguin_u": "Fmm2", "point_group": "mm2"}, {"symops": ["x,y,z", "-x+1/2,y,-z+1/2", "x,y,-z+1/2", "-x+1/2,y,z", "x+1/2,y+1/2,z", "-x,y+1/2,-z+1/2", "x+1/2,y+1/2,-z+1/2", "-x,y+1/2,z", "x,y+1/2,z+1/2", "-x+1/2,y+1/2,-z", "x,y+1/2,-z", "-x+1/2,y+1/2,z+1/2", "x+1/2,y,z+1/2", "-x,y,-z", "x+1/2,y,-z", "-x,y,z+1/2"], "universal_h_m": "F m m 2 (b+1/4,c+1/4,a+1/2)", "number": 42, "schoenflies": "C2v^18", "hall": " F 2 -2 (y-1/4,z+1/2,x-1/4)", "hermann_mauguin": "F m m 2 ", "ncsym": ["x,y,z", "x,y+1/2,-z", "-x,y+1/2,z", "-x,y,-z"], "short_h_m": "Fmm2", "hermann_mauguin_u": "Fmm2", "point_group": "mm2"}, {"symops": ["x,y,z", "-x+1/2,-y+1/2,z", "-x+1/2,y,z", "x,-y+1/2,z", "x+1/2,y+1/2,z", "-x,-y,z", "-x,y+1/2,z", "x+1/2,-y,z"], "universal_h_m": "C m m 2 (a-1/4,b-1/4,c)", "number": 35, "schoenflies": "C2v^11", "hall": " C 2 -2 (x+1/4,y+1/4,z)", "hermann_mauguin": "C m m 2 ", "ncsym": ["x,y,z", "-x,-y,z", "-x+1/2,y,z", "x+1/2,-y,z"], "short_h_m": "Cmm2", "hermann_mauguin_u": "Cmm2", "point_group": "mm2"}, {"symops": ["x,y,z", "-x+1/2,y,-z+1/2", "x,y,-z+1/2", "-x+1/2,y,z", "x+1/2,y,z+1/2", "-x,y,-z", "x+1/2,y,-z", "-x,y,z+1/2"], "universal_h_m": "C m m 2 (b-1/4,c-1/4,a)", "number": 35, "schoenflies": "C2v^11", "hall": " C 2 -2 (y+1/4,z,x+1/4)", "hermann_mauguin": "C m m 2 ", "ncsym": ["x,y,z", "x,y,-z+1/2", "-x,y,z+1/2", "-x,y,-z"], "short_h_m": "Cmm2", "hermann_mauguin_u": "Cmm2", "point_group": "mm2"}, {"symops": ["x,y,z", "-x,-y+1/2,z", "-x+1/2,y+1/2,z", "x+1/2,-y,z", "x,y+1/2,z+1/2", "-x,-y,z+1/2", "-x+1/2,y,z+1/2", "x+1/2,-y+1/2,z+1/2"], "universal_h_m": "A e a 2 (a,b+1/4,c-1/4)", "number": 41, "schoenflies": "C2v^17", "hall": " A 2 -2ab (x,y-1/4,z+1/4)", "hermann_mauguin": "A e a 2 ", "ncsym": ["x,y,z", "-x,-y,z+1/2", "-x+1/2,y,z+1/2", "x+1/2,-y,z"], "short_h_m": "Aea2", "hermann_mauguin_u": "Aea2", "point_group": "mm2"}, {"symops": ["x,y,z", "-x+1/2,-y+1/2,z+1/2", "x,-y+1/2,z", "-x+1/2,y,z+1/2", "x+1/2,y+1/2,z", "-x,-y,z+1/2", "x+1/2,-y,z", "-x,y+1/2,z+1/2"], "universal_h_m": "C m c 21 (b-1/4,-a-1/4,c)", "number": 36, "schoenflies": "C2v^12", "hall": " C 2c -2 (y+1/4,-x-1/4,z)", "hermann_mauguin": "C m c 21 ", "ncsym": ["x,y,z", "-x,-y,z+1/2", "-x+1/2,y,z+1/2", "x+1/2,-y,z"], "short_h_m": "Cmc2_1", "hermann_mauguin_u": "Cmc2_1", "point_group": "mm2"}, {"symops": ["x,y,z", "-x+1/2,-y+1/2,z", "-x+1/2,y,z+1/2", "x,-y+1/2,z+1/2", "x+1/2,y+1/2,z+1/2", "-x,-y,z+1/2", "-x,y+1/2,z", "x+1/2,-y,z"], "universal_h_m": "I b a 2 (a-1/4,b-1/4,c+1/4)", "number": 45, "schoenflies": "C2v^21", "hall": " I 2 -2c (x+1/4,y+1/4,z-1/4)", "hermann_mauguin": "I b a 2 ", "ncsym": ["x,y,z", "-x,-y,z+1/2", "-x+1/2,y,z+1/2", "x+1/2,-y,z"], "short_h_m": "Iba2", "hermann_mauguin_u": "Iba2", "point_group": "mm2"}, {"symops": ["x,y,z", "-x+1/2,-y,z", "x+1/2,-y+1/2,z", "-x,y+1/2,z", "x+1/2,y,z+1/2", "-x,-y,z+1/2", "x,-y+1/2,z+1/2", "-x+1/2,y+1/2,z+1/2"], "universal_h_m": "A e a 2 (b,-a+1/4,c-1/4)", "number": 41, "schoenflies": "C2v^17", "hall": " A 2 -2ab (y-1/4,-x,z+1/4)", "hermann_mauguin": "A e a 2 ", "ncsym": ["x,y,z", "-x,-y,z+1/2", "-x,y+1/2,z", "x,-y+1/2,z+1/2"], "short_h_m": "Aea2", "hermann_mauguin_u": "Aea2", "point_group": "mm2"}, {"symops": ["x,y,z", "-x+1/2,-y+1/2,z+1/2", "-x+1/2,y,z", "x,-y+1/2,z+1/2", "x+1/2,y+1/2,z", "-x,-y,z+1/2", "-x,y+1/2,z", "x+1/2,-y,z+1/2"], "universal_h_m": "C m c 21 (a-1/4,b-1/4,c)", "number": 36, "schoenflies": "C2v^12", "hall": " C 2c -2 (x+1/4,y+1/4,z)", "hermann_mauguin": "C m c 21 ", "ncsym": ["x,y,z", "-x,-y,z+1/2", "-x,y+1/2,z", "x,-y+1/2,z+1/2"], "short_h_m": "Cmc2_1", "hermann_mauguin_u": "Cmc2_1", "point_group": "mm2"}, {"symops": ["x,y,z", "-x+1/2,y+1/2,-z+1/2", "-x+1/2,y,z", "x,y+1/2,-z+1/2", "x+1/2,y,z+1/2", "-x,y+1/2,-z", "-x,y,z+1/2", "x+1/2,y+1/2,-z"], "universal_h_m": "C m c 21 (-a-1/4,c-1/4,b)", "number": 36, "schoenflies": "C2v^12", "hall": " C 2c -2 (-x-1/4,z,y+1/4)", "hermann_mauguin": "C m c 21 ", "ncsym": ["x,y,z", "x,y+1/2,-z+1/2", "-x,y,z+1/2", "-x,y+1/2,-z"], "short_h_m": "Cmc2_1", "hermann_mauguin_u": "Cmc2_1", "point_group": "mm2"}, {"symops": ["x,y,z", "-x+1/2,y,-z", "x+1/2,y,-z+1/2", "-x,y,z+1/2", "x+1/2,y+1/2,z", "-x,y+1/2,-z", "x,y+1/2,-z+1/2", "-x+1/2,y+1/2,z+1/2"], "universal_h_m": "A e a 2 (b,c+1/4,a-1/4)", "number": 41, "schoenflies": "C2v^17", "hall": " A 2 -2ab (y-1/4,z+1/4,x)", "hermann_mauguin": "A e a 2 ", "ncsym": ["x,y,z", "x,y+1/2,-z+1/2", "-x,y,z+1/2", "-x,y+1/2,-z"], "short_h_m": "Aea2", "hermann_mauguin_u": "Aea2", "point_group": "mm2"}, {"symops": ["x,y,z", "-x+1/2,y,-z+1/2", "x,y+1/2,-z+1/2", "-x+1/2,y+1/2,z", "x+1/2,y+1/2,z+1/2", "-x,y+1/2,-z", "x+1/2,y,-z", "-x,y,z+1/2"], "universal_h_m": "I b a 2 (b-1/4,c-1/4,a+1/4)", "number": 45, "schoenflies": "C2v^21", "hall": " I 2 -2c (y+1/4,z-1/4,x+1/4)", "hermann_mauguin": "I b a 2 ", "ncsym": ["x,y,z", "x,y+1/2,-z+1/2", "-x,y,z+1/2", "-x,y+1/2,-z"], "short_h_m": "Iba2", "hermann_mauguin_u": "Iba2", "point_group": "mm2"}, {"symops": ["x,y,z", "-x,y,-z+1/2", "-x+1/2,y,z+1/2", "x+1/2,y,-z", "x,y+1/2,z+1/2", "-x,y+1/2,-z", "-x+1/2,y+1/2,z", "x+1/2,y+1/2,-z+1/2"], "universal_h_m": "A e a 2 (-a,c+1/4,b-1/4)", "number": 41, "schoenflies": "C2v^17", "hall": " A 2 -2ab (-x,z+1/4,y-1/4)", "hermann_mauguin": "A e a 2 ", "ncsym": ["x,y,z", "x+1/2,y,-z", "-x+1/2,y+1/2,z", "-x,y+1/2,-z"], "short_h_m": "Aea2", "hermann_mauguin_u": "Aea2", "point_group": "mm2"}, {"symops": ["x,y,z", "-x+1/2,y+1/2,-z+1/2", "x,y,-z+1/2", "-x+1/2,y+1/2,z", "x+1/2,y,z+1/2", "-x,y+1/2,-z", "x+1/2,y,-z", "-x,y+1/2,z+1/2"], "universal_h_m": "C m c 21 (b-1/4,c-1/4,a)", "number": 36, "schoenflies": "C2v^12", "hall": " C 2c -2 (y+1/4,z,x+1/4)", "hermann_mauguin": "C m c 21 ", "ncsym": ["x,y,z", "x+1/2,y,-z", "-x+1/2,y+1/2,z", "-x,y+1/2,-z"], "short_h_m": "Cmc2_1", "hermann_mauguin_u": "Cmc2_1", "point_group": "mm2"}, {"symops": ["x,y,z", "-x+1/2,-y+1/2,z", "-x+1/2,y,z+1/2", "x,-y+1/2,z+1/2", "x+1/2,y+1/2,z", "-x,-y,z", "-x,y+1/2,z+1/2", "x+1/2,-y,z+1/2"], "universal_h_m": "C c c 2 (a-1/4,b-1/4,c)", "number": 37, "schoenflies": "C2v^13", "hall": " C 2 -2c (x+1/4,y+1/4,z)", "hermann_mauguin": "C c c 2 ", "ncsym": ["x,y,z", "-x,-y,z", "-x,y+1/2,z+1/2", "x,-y+1/2,z+1/2"], "short_h_m": "Ccc2", "hermann_mauguin_u": "Ccc2", "point_group": "mm2"}, {"symops": ["x,y,z", "-x+1/2,y,-z+1/2", "x,y+1/2,-z+1/2", "-x+1/2,y+1/2,z", "x+1/2,y,z+1/2", "-x,y,-z", "x+1/2,y+1/2,-z", "-x,y+1/2,z+1/2"], "universal_h_m": "C c c 2 (b-1/4,c-1/4,a)", "number": 37, "schoenflies": "C2v^13", "hall": " C 2 -2c (y+1/4,z,x+1/4)", "hermann_mauguin": "C c c 2 ", "ncsym": ["x,y,z", "x+1/2,y+1/2,-z", "-x+1/2,y+1/2,z", "-x,y,-z"], "short_h_m": "Ccc2", "hermann_mauguin_u": "Ccc2", "point_group": "mm2"}, {"symops": ["x,y,z", "-x+1/2,-y+1/2,z", "-x,y,z", "x+1/2,-y+1/2,z", "x,y+1/2,z+1/2", "-x+1/2,-y,z+1/2", "-x,y+1/2,z+1/2", "x+1/2,-y,z+1/2"], "universal_h_m": "A m a 2 (a+1/4,b+1/4,c-1/4)", "number": 40, "schoenflies": "C2v^16", "hall": " A 2 -2a (x-1/4,y-1/4,z+1/4)", "hermann_mauguin": "A m a 2 ", "ncsym": ["x,y,z", "-x+1/2,-y,z+1/2", "-x,y,z", "x+1/2,-y,z+1/2"], "short_h_m": "Ama2", "hermann_mauguin_u": "Ama2", "point_group": "mm2"}, {"symops": ["x,y,z", "-x,-y+1/2,z+1/2", "-x,y,z", "x,-y+1/2,z+1/2", "x+1/2,y+1/2,z", "-x+1/2,-y,z+1/2", "-x+1/2,y+1/2,z", "x+1/2,-y,z+1/2"], "universal_h_m": "C m c 21 (a,b+1/4,c)", "number": 36, "schoenflies": "C2v^12", "hall": " C 2c -2 (x,y-1/4,z)", "hermann_mauguin": "C m c 21 ", "ncsym": ["x,y,z", "-x+1/2,-y,z+1/2", "-x,y,z", "x+1/2,-y,z+1/2"], "short_h_m": "Cmc2_1", "hermann_mauguin_u": "Cmc2_1", "point_group": "mm2"}, {"symops": ["x,y,z", "-x,-y+1/2,z", "-x,y,z", "x,-y+1/2,z", "x+1/2,y+1/2,z+1/2", "-x+1/2,-y,z+1/2", "-x+1/2,y+1/2,z+1/2", "x+1/2,-y,z+1/2"], "universal_h_m": "I m m 2 (a,b-1/4,c)", "number": 44, "schoenflies": "C2v^20", "hall": " I 2 -2 (x,y+1/4,z)", "hermann_mauguin": "I m m 2 ", "ncsym": ["x,y,z", "-x+1/2,-y,z+1/2", "-x,y,z", "x+1/2,-y,z+1/2"], "short_h_m": "Imm2", "hermann_mauguin_u": "Imm2", "point_group": "mm2"}, {"symops": ["x,y,z", "-x+1/2,-y+1/2,z", "x,-y,z", "-x+1/2,y+1/2,z", "x+1/2,y,z+1/2", "-x,-y+1/2,z+1/2", "x+1/2,-y,z+1/2", "-x,y+1/2,z+1/2"], "universal_h_m": "A m a 2 (b+1/4,-a+1/4,c-1/4)", "number": 40, "schoenflies": "C2v^16", "hall": " A 2 -2a (y-1/4,-x+1/4,z+1/4)", "hermann_mauguin": "A m a 2 ", "ncsym": ["x,y,z", "-x,-y+1/2,z+1/2", "-x,y+1/2,z+1/2", "x,-y,z"], "short_h_m": "Ama2", "hermann_mauguin_u": "Ama2", "point_group": "mm2"}, {"symops": ["x,y,z", "-x+1/2,-y,z+1/2", "x,-y,z", "-x+1/2,y,z+1/2", "x+1/2,y+1/2,z", "-x,-y+1/2,z+1/2", "x+1/2,-y+1/2,z", "-x,y+1/2,z+1/2"], "universal_h_m": "C m c 21 (b,-a+1/4,c)", "number": 36, "schoenflies": "C2v^12", "hall": " C 2c -2 (y-1/4,-x,z)", "hermann_mauguin": "C m c 21 ", "ncsym": ["x,y,z", "-x,-y+1/2,z+1/2", "-x,y+1/2,z+1/2", "x,-y,z"], "short_h_m": "Cmc2_1", "hermann_mauguin_u": "Cmc2_1", "point_group": "mm2"}, {"symops": ["x,y,z", "-x+1/2,-y,z", "-x+1/2,y,z", "x,-y,z", "x+1/2,y+1/2,z+1/2", "-x,-y+1/2,z+1/2", "-x,y+1/2,z+1/2", "x+1/2,-y+1/2,z+1/2"], "universal_h_m": "I m m 2 (a-1/4,b,c+1/4)", "number": 44, "schoenflies": "C2v^20", "hall": " I 2 -2 (x+1/4,y,z-1/4)", "hermann_mauguin": "I m m 2 ", "ncsym": ["x,y,z", "-x,-y+1/2,z+1/2", "-x,y+1/2,z+1/2", "x,-y,z"], "short_h_m": "Imm2", "hermann_mauguin_u": "Imm2", "point_group": "mm2"}, {"symops": ["x,y,z", "-x+1/2,y+1/2,-z", "x,y,-z", "-x+1/2,y+1/2,z", "x+1/2,y,z+1/2", "-x,y+1/2,-z+1/2", "x+1/2,y,-z+1/2", "-x,y+1/2,z+1/2"], "universal_h_m": "C m c 21 (b,c+1/4,a)", "number": 36, "schoenflies": "C2v^12", "hall": " C 2c -2 (y-1/4,z,x)", "hermann_mauguin": "C m c 21 ", "ncsym": ["x,y,z", "x,y,-z", "-x,y+1/2,z+1/2", "-x,y+1/2,-z+1/2"], "short_h_m": "Cmc2_1", "hermann_mauguin_u": "Cmc2_1", "point_group": "mm2"}, {"symops": ["x,y,z", "-x+1/2,y,-z+1/2", "x,y,-z", "-x+1/2,y,z+1/2", "x+1/2,y+1/2,z", "-x,y+1/2,-z+1/2", "x+1/2,y+1/2,-z", "-x,y+1/2,z+1/2"], "universal_h_m": "A m a 2 (b+1/4,c+1/4,a-1/4)", "number": 40, "schoenflies": "C2v^16", "hall": " A 2 -2a (y-1/4,z+1/4,x-1/4)", "hermann_mauguin": "A m a 2 ", "ncsym": ["x,y,z", "x,y,-z", "-x,y+1/2,z+1/2", "-x,y+1/2,-z+1/2"], "short_h_m": "Ama2", "hermann_mauguin_u": "Ama2", "point_group": "mm2"}, {"symops": ["x,y,z", "-x+1/2,y,-z", "x,y,-z", "-x+1/2,y,z", "x+1/2,y+1/2,z+1/2", "-x,y+1/2,-z+1/2", "x+1/2,y+1/2,-z+1/2", "-x,y+1/2,z+1/2"], "universal_h_m": "I m m 2 (b,c-1/4,a)", "number": 44, "schoenflies": "C2v^20", "hall": " I 2 -2 (y+1/4,z,x)", "hermann_mauguin": "I m m 2 ", "ncsym": ["x,y,z", "x,y,-z", "-x,y+1/2,z+1/2", "-x,y+1/2,-z+1/2"], "short_h_m": "Imm2", "hermann_mauguin_u": "Imm2", "point_group": "mm2"}, {"symops": ["x,y,z", "-x+1/2,y,-z+1/2", "-x,y,z", "x+1/2,y,-z+1/2", "x,y+1/2,z+1/2", "-x+1/2,y+1/2,-z", "-x,y+1/2,z+1/2", "x+1/2,y+1/2,-z"], "universal_h_m": "A m a 2 (-a+1/4,c+1/4,b-1/4)", "number": 40, "schoenflies": "C2v^16", "hall": " A 2 -2a (-x+1/4,z+1/4,y-1/4)", "hermann_mauguin": "A m a 2 ", "ncsym": ["x,y,z", "x+1/2,y+1/2,-z", "-x,y,z", "-x+1/2,y+1/2,-z"], "short_h_m": "Ama2", "hermann_mauguin_u": "Ama2", "point_group": "mm2"}, {"symops": ["x,y,z", "-x,y+1/2,-z+1/2", "-x,y,z", "x,y+1/2,-z+1/2", "x+1/2,y,z+1/2", "-x+1/2,y+1/2,-z", "-x+1/2,y,z+1/2", "x+1/2,y+1/2,-z"], "universal_h_m": "C m c 21 (-a,c+1/4,b)", "number": 36, "schoenflies": "C2v^12", "hall": " C 2c -2 (-x,z,y-1/4)", "hermann_mauguin": "C m c 21 ", "ncsym": ["x,y,z", "x+1/2,y+1/2,-z", "-x,y,z", "-x+1/2,y+1/2,-z"], "short_h_m": "Cmc2_1", "hermann_mauguin_u": "Cmc2_1", "point_group": "mm2"}, {"symops": ["x,y,z", "-x,y,-z+1/2", "x,y,-z+1/2", "-x,y,z", "x+1/2,y+1/2,z+1/2", "-x+1/2,y+1/2,-z", "x+1/2,y+1/2,-z", "-x+1/2,y+1/2,z+1/2"], "universal_h_m": "I m m 2 (b-1/4,c,a+1/4)", "number": 44, "schoenflies": "C2v^20", "hall": " I 2 -2 (y,z-1/4,x+1/4)", "hermann_mauguin": "I m m 2 ", "ncsym": ["x,y,z", "x+1/2,y+1/2,-z", "-x,y,z", "-x+1/2,y+1/2,-z"], "short_h_m": "Imm2", "hermann_mauguin_u": "Imm2", "point_group": "mm2"}, {"symops": ["x,y,z", "-x,-y+1/2,z", "-x+1/2,y,z", "x+1/2,-y+1/2,z", "x,y+1/2,z+1/2", "-x,-y,z+1/2", "-x+1/2,y+1/2,z+1/2", "x+1/2,-y,z+1/2"], "universal_h_m": "A m a 2 (a,b+1/4,c-1/4)", "number": 40, "schoenflies": "C2v^16", "hall": " A 2 -2a (x,y-1/4,z+1/4)", "hermann_mauguin": "A m a 2 ", "ncsym": ["x,y,z", "-x,-y,z+1/2", "-x+1/2,y+1/2,z+1/2", "x+1/2,-y+1/2,z"], "short_h_m": "Ama2", "hermann_mauguin_u": "Ama2", "point_group": "mm2"}, {"symops": ["x,y,z", "-x+1/2,-y,z", "x,-y+1/2,z", "-x+1/2,y+1/2,z", "x+1/2,y,z+1/2", "-x,-y,z+1/2", "x+1/2,-y+1/2,z+1/2", "-x,y+1/2,z+1/2"], "universal_h_m": "A m a 2 (b,-a+1/4,c-1/4)", "number": 40, "schoenflies": "C2v^16", "hall": " A 2 -2a (y-1/4,-x,z+1/4)", "hermann_mauguin": "A m a 2 ", "ncsym": ["x,y,z", "-x,-y,z+1/2", "-x+1/2,y+1/2,z", "x+1/2,-y+1/2,z+1/2"], "short_h_m": "Ama2", "hermann_mauguin_u": "Ama2", "point_group": "mm2"}, {"symops": ["x,y,z", "-x+1/2,y,-z", "x,y,-z+1/2", "-x+1/2,y,z+1/2", "x+1/2,y+1/2,z", "-x,y+1/2,-z", "x+1/2,y+1/2,-z+1/2", "-x,y+1/2,z+1/2"], "universal_h_m": "A m a 2 (b,c+1/4,a-1/4)", "number": 40, "schoenflies": "C2v^16", "hall": " A 2 -2a (y-1/4,z+1/4,x)", "hermann_mauguin": "A m a 2 ", "ncsym": ["x,y,z", "x+1/2,y+1/2,-z+1/2", "-x+1/2,y,z+1/2", "-x,y+1/2,-z"], "short_h_m": "Ama2", "hermann_mauguin_u": "Ama2", "point_group": "mm2"}, {"symops": ["x,y,z", "-x,y,-z+1/2", "-x+1/2,y,z", "x+1/2,y,-z+1/2", "x,y+1/2,z+1/2", "-x,y+1/2,-z", "-x+1/2,y+1/2,z+1/2", "x+1/2,y+1/2,-z"], "universal_h_m": "A m a 2 (-a,c+1/4,b-1/4)", "number": 40, "schoenflies": "C2v^16", "hall": " A 2 -2a (-x,z+1/4,y-1/4)", "hermann_mauguin": "A m a 2 ", "ncsym": ["x,y,z", "x+1/2,y,-z+1/2", "-x+1/2,y+1/2,z+1/2", "-x,y+1/2,-z"], "short_h_m": "Ama2", "hermann_mauguin_u": "Ama2", "point_group": "mm2"}, {"symops": ["x,y,z", "x,-y,-z", "-x,y,-z", "-x,-y,z", "-x+1/2,-y,-z", "-x+1/2,y,z", "x+1/2,-y,z", "x+1/2,y,-z", "x,y+1/2,z+1/2", "x,-y+1/2,-z+1/2", "-x,y+1/2,-z+1/2", "-x,-y+1/2,z+1/2", "-x+1/2,-y+1/2,-z+1/2", "-x+1/2,y+1/2,z+1/2", "x+1/2,-y+1/2,z+1/2", "x+1/2,y+1/2,-z+1/2"], "universal_h_m": "C c c m (c,a,b-1/4)", "number": 66, "schoenflies": "D2h^20", "hall": "-C 2 2c (z+1/4,x,y)", "hermann_mauguin": "C c c m ", "ncsym": ["x,y,z", "-x,-y,z", "x,-y,-z", "-x,y,-z", "-x+1/2,-y+1/2,-z+1/2", "x+1/2,y+1/2,-z+1/2", "-x+1/2,y+1/2,z+1/2", "x+1/2,-y+1/2,z+1/2"], "short_h_m": "Cccm", "hermann_mauguin_u": "Cccm", "point_group": "mmm"}, {"symops": ["x,y,z", "-x,y,-z", "-x,-y,z", "x,-y,-z", "-x,-y+1/2,-z", "x,-y+1/2,z", "x,y+1/2,-z", "-x,y+1/2,z", "x+1/2,y,z+1/2", "-x+1/2,y,-z+1/2", "-x+1/2,-y,z+1/2", "x+1/2,-y,-z+1/2", "-x+1/2,-y+1/2,-z+1/2", "x+1/2,-y+1/2,z+1/2", "x+1/2,y+1/2,-z+1/2", "-x+1/2,y+1/2,z+1/2"], "universal_h_m": "C c c m (b,c,a-1/4)", "number": 66, "schoenflies": "D2h^20", "hall": "-C 2 2c (y,z+1/4,x)", "hermann_mauguin": "C c c m ", "ncsym": ["x,y,z", "-x,-y,z", "x,-y,-z", "-x,y,-z", "-x+1/2,-y+1/2,-z+1/2", "x+1/2,y+1/2,-z+1/2", "-x+1/2,y+1/2,z+1/2", "x+1/2,-y+1/2,z+1/2"], "short_h_m": "Cccm", "hermann_mauguin_u": "Cccm", "point_group": "mmm"}, {"symops": ["x,y,z", "-x,-y,z", "x,-y,-z", "-x,y,-z", "-x,-y,-z+1/2", "x,y,-z+1/2", "-x,y,z+1/2", "x,-y,z+1/2", "x+1/2,y+1/2,z", "-x+1/2,-y+1/2,z", "x+1/2,-y+1/2,-z", "-x+1/2,y+1/2,-z", "-x+1/2,-y+1/2,-z+1/2", "x+1/2,y+1/2,-z+1/2", "-x+1/2,y+1/2,z+1/2", "x+1/2,-y+1/2,z+1/2"], "universal_h_m": "C c c m (a,b,c-1/4)", "number": 66, "schoenflies": "D2h^20", "hall": "-C 2 2c (x,y,z+1/4)", "hermann_mauguin": "C c c m ", "ncsym": ["x,y,z", "-x,-y,z", "x,-y,-z", "-x,y,-z", "-x+1/2,-y+1/2,-z+1/2", "x+1/2,y+1/2,-z+1/2", "-x+1/2,y+1/2,z+1/2", "x+1/2,-y+1/2,z+1/2"], "short_h_m": "Cccm", "hermann_mauguin_u": "Cccm", "point_group": "mmm"}, {"symops": ["x,y,z", "-x+1/2,-y+1/2,z", "x,-y+1/2,-z+1/2", "-x+1/2,y,-z+1/2", "-x+1/2,-y+1/2,-z+1/2", "x,y,-z+1/2", "-x+1/2,y,z", "x,-y+1/2,z", "x,y+1/2,z+1/2", "-x+1/2,-y,z+1/2", "x,-y,-z", "-x+1/2,y+1/2,-z", "-x+1/2,-y,-z", "x,y+1/2,-z", "-x+1/2,y+1/2,z+1/2", "x,-y,z+1/2", "x+1/2,y,z+1/2", "-x,-y+1/2,z+1/2", "x+1/2,-y+1/2,-z", "-x,y,-z", "-x,-y+1/2,-z", "x+1/2,y,-z", "-x,y,z+1/2", "x+1/2,-y+1/2,z+1/2", "x+1/2,y+1/2,z", "-x,-y,z", "x+1/2,-y,-z+1/2", "-x,y+1/2,-z+1/2", "-x,-y,-z+1/2", "x+1/2,y+1/2,-z+1/2", "-x,y+1/2,z", "x+1/2,-y,z"], "universal_h_m": "F m m m (a-1/4,b-1/4,c-1/4)", "number": 69, "schoenflies": "D2h^23", "hall": "-F 2 2 (x+1/4,y+1/4,z+1/4)", "hermann_mauguin": "F m m m ", "ncsym": ["x,y,z", "-x,-y,z", "x,-y,-z", "-x,y,-z", "-x+1/2,-y+1/2,-z+1/2", "x+1/2,y+1/2,-z+1/2", "-x+1/2,y+1/2,z+1/2", "x+1/2,-y+1/2,z+1/2"], "short_h_m": "Fmmm", "hermann_mauguin_u": "Fmmm", "point_group": "mmm"}, {"symops": ["x,y,z", "x,-y+1/2,-z+1/2", "-x+1/2,y,-z+1/2", "-x+1/2,-y+1/2,z", "-x,-y+1/2,-z+1/2", "-x,y,z", "x+1/2,-y+1/2,z", "x+1/2,y,-z+1/2", "x,y+1/2,z+1/2", "x,-y,-z", "-x+1/2,y+1/2,-z", "-x+1/2,-y,z+1/2", "-x,-y,-z", "-x,y+1/2,z+1/2", "x+1/2,-y,z+1/2", "x+1/2,y+1/2,-z"], "universal_h_m": "C c c m (c-1/4,a-1/4,b)", "number": 66, "schoenflies": "D2h^20", "hall": "-C 2 2c (z,x+1/4,y+1/4)", "hermann_mauguin": "C c c m ", "ncsym": ["x,y,z", "-x+1/2,-y+1/2,z", "x,-y+1/2,-z+1/2", "-x+1/2,y,-z+1/2", "-x,-y,-z", "x+1/2,y+1/2,-z", "-x,y+1/2,z+1/2", "x+1/2,-y,z+1/2"], "short_h_m": "Cccm", "hermann_mauguin_u": "Cccm", "point_group": "mmm"}, {"symops": ["x,y,z", "-x+1/2,y,-z+1/2", "-x+1/2,-y+1/2,z", "x,-y+1/2,-z+1/2", "-x+1/2,-y,-z+1/2", "x,-y,z", "x,y+1/2,-z+1/2", "-x+1/2,y+1/2,z", "x+1/2,y,z+1/2", "-x,y,-z", "-x,-y+1/2,z+1/2", "x+1/2,-y+1/2,-z", "-x,-y,-z", "x+1/2,-y,z+1/2", "x+1/2,y+1/2,-z", "-x,y+1/2,z+1/2"], "universal_h_m": "C c c m (b-1/4,c-1/4,a)", "number": 66, "schoenflies": "D2h^20", "hall": "-C 2 2c (y+1/4,z,x+1/4)", "hermann_mauguin": "C c c m ", "ncsym": ["x,y,z", "-x+1/2,-y+1/2,z", "x,-y+1/2,-z+1/2", "-x+1/2,y,-z+1/2", "-x,-y,-z", "x+1/2,y+1/2,-z", "-x,y+1/2,z+1/2", "x+1/2,-y,z+1/2"], "short_h_m": "Cccm", "hermann_mauguin_u": "Cccm", "point_group": "mmm"}, {"symops": ["x,y,z", "-x+1/2,-y+1/2,z", "x,-y+1/2,-z+1/2", "-x+1/2,y,-z+1/2", "-x+1/2,-y+1/2,-z", "x,y,-z", "-x+1/2,y,z+1/2", "x,-y+1/2,z+1/2", "x+1/2,y+1/2,z", "-x,-y,z", "x+1/2,-y,-z+1/2", "-x,y+1/2,-z+1/2", "-x,-y,-z", "x+1/2,y+1/2,-z", "-x,y+1/2,z+1/2", "x+1/2,-y,z+1/2"], "universal_h_m": "C c c m (a-1/4,b-1/4,c)", "number": 66, "schoenflies": "D2h^20", "hall": "-C 2 2c (x+1/4,y+1/4,z)", "hermann_mauguin": "C c c m ", "ncsym": ["x,y,z", "-x+1/2,-y+1/2,z", 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"y+1/2,-z+1/2,x+1/2", "z,y,x", "y+1/2,z+1/2,-x+1/2", "-z,y,-x", "z,-y,-x"], "short_h_m": "Fm-3m", "hermann_mauguin_u": "Fm-3m", "point_group": "m-3m"}, {"symops": ["x,y,z", "-y,x,z", "-x,-y,z", "y,-x,z", "-x+1/2,y+1/2,z", "-y+1/2,-x+1/2,z", "x+1/2,-y+1/2,z", "y+1/2,x+1/2,z", "x,y,z+1/2", "-y,x,z+1/2", "-x,-y,z+1/2", "y,-x,z+1/2", "-x+1/2,y+1/2,z+1/2", "-y+1/2,-x+1/2,z+1/2", "x+1/2,-y+1/2,z+1/2", "y+1/2,x+1/2,z+1/2"], "universal_h_m": "P 4 b m (a,b,2*c)", "number": 100, "schoenflies": "C4v^2", "hall": " P 4 -2ab (x,y,1/2*z)", "hermann_mauguin": "P 4 b m", "ncsym": ["x,y,z", "-y,x,z", "-x,-y,z", "y,-x,z", "-x+1/2,y+1/2,z", "-y+1/2,-x+1/2,z", "x+1/2,-y+1/2,z", "y+1/2,x+1/2,z", "x,y,z+1/2", "-y,x,z+1/2", "-x,-y,z+1/2", "y,-x,z+1/2", "-x+1/2,y+1/2,z+1/2", "-y+1/2,-x+1/2,z+1/2", "x+1/2,-y+1/2,z+1/2", "y+1/2,x+1/2,z+1/2"], "short_h_m": "P4bm", "hermann_mauguin_u": "P4bm", "point_group": "4mm"}, {"symops": ["x,y,z", "x,-y,z+1/2", "x+1/2,y,z+1/2", "x+1/2,-y,z", "x+1/4,y+1/2,z+3/4", "x+1/4,-y+1/2,z+1/4", "x+3/4,y+1/2,z+1/4", "x+3/4,-y+1/2,z+3/4"], "universal_h_m": "C 1 c 1 (2*a+c,b,c)", "number": 9, "schoenflies": "Cs^4", "hall": " C -2yc (1/2*x,y,-1/2*x+z)", "hermann_mauguin": "C 1 c 1", "ncsym": ["x,y,z", "x,-y,z+1/2", "x+1/2,y,z+1/2", "x+1/2,-y,z"], "short_h_m": "Cc", "hermann_mauguin_u": "C1c1", "point_group": "m"}, {"symops": ["x,y,z", "-x,y,z", "x,-y,z+1/2", "-x,-y,z+1/2", "x+1/2,y,z", "-x+1/2,y,z", "x+1/2,-y,z+1/2", "-x+1/2,-y,z+1/2"], "universal_h_m": "P m c 21 (2*a,b,c)", "number": 26, "schoenflies": "C2v^2", "hall": " P 2c -2 (1/2*x,y,z)", "hermann_mauguin": "P m c 21", "ncsym": ["x,y,z", "-x,y,z", "x,-y,z+1/2", "-x,-y,z+1/2"], "short_h_m": "Pmc2_1", "hermann_mauguin_u": "Pmc2_1", "point_group": "mm2"}, {"symops": ["x,y,z", "x,-y,z", "x,y,-z", "x,-y,-z", "x,y+1/2,z+1/2", "x,-y+1/2,z+1/2", "x,y+1/2,-z+1/2", "x,-y+1/2,-z+1/2", "x+1/2,y,z", "x+1/2,-y,z", "x+1/2,y,-z", "x+1/2,-y,-z", "x+1/2,y+1/2,z+1/2", "x+1/2,-y+1/2,z+1/2", "x+1/2,y+1/2,-z+1/2", "x+1/2,-y+1/2,-z+1/2"], "universal_h_m": "C m m 2 (2*c,a,b)", "number": 35, "schoenflies": "C2v^11", "hall": " C 2 -2 (1/2*z,x,y)", "hermann_mauguin": "C m m 2", "ncsym": ["x,y,z", "x,-y,z", "x,y,-z", "x,-y,-z"], "short_h_m": "Cmm2", "hermann_mauguin_u": "Cmm2", "point_group": "mm2"}, {"symops": ["x,y,z", "-x+1/4,-y,z+1/2", "-x,-y,-z", "x-1/4,y,-z-1/2", "x+3/4,y+1/2,z", "-x+1,-y+1/2,z+1/2", "-x+3/4,-y+1/2,-z", "x+1/2,y+1/2,-z-1/2", "x+1/4,y+1/2,z", "-x+1/2,-y+1/2,z+1/2", "-x+1/4,-y+1/2,-z", "x,y+1/2,-z-1/2", "x+1/2,y,z", "-x+3/4,-y,z+1/2", "-x+1/2,-y,-z", "x+1/4,y,-z-1/2"], "universal_h_m": "P 1 21/c 1 (2*c,2*a+c,b)", "number": 14, "schoenflies": "C2h^5", "hall": "-P 2ybc (-1/4*x+1/2*z,1/2*x,y)", "hermann_mauguin": "P 1 21/c 1", "ncsym": ["x,y,z", "-x+1/4,-y,z+1/2", "-x,-y,-z", "x-1/4,y,-z-1/2"], "short_h_m": "P2_1/c", "hermann_mauguin_u": "P12_1/c1", "point_group": "2/m"}, {"symops": ["x,y,z", "-x,y,z", "x,y,-z+1/2", "-x,y,-z+1/2", "-x,-y,-z", "x,-y,-z", "-x,-y,z-1/2", "x,-y,z-1/2", "x+1/2,y,z", "-x+1/2,y,z", "x+1/2,y,-z+1/2", "-x+1/2,y,-z+1/2", "-x+1/2,-y,-z", "x+1/2,-y,-z", "-x+1/2,-y,z-1/2", "x+1/2,-y,z-1/2"], "universal_h_m": "P m m a (2*b,c,a)", "number": 51, "schoenflies": "D2h^5", "hall": "-P 2a 2a (1/2*y,z,x)", "hermann_mauguin": "P m m a", "ncsym": ["x,y,z", "-x,y,z", "x,y,-z+1/2", "-x,y,-z+1/2", "-x,-y,-z", "x,-y,-z", "-x,-y,z-1/2", "x,-y,z-1/2"], "short_h_m": "Pmma", "hermann_mauguin_u": "Pmma", "point_group": "mmm"}, {"symops": ["x,y,z", "-x,y,z", "x,y,-z", "-x,y,-z", "x+1/2,y,z", "-x+1/2,y,z", "x+1/2,y,-z", "-x+1/2,y,-z", "-x,-y+2/3,-z+1/2", "x,-y+2/3,-z+1/2", "-x,-y+2/3,z+1/2", "x,-y+2/3,z+1/2", "-x+1/2,-y+2/3,-z+1/2", "x+1/2,-y+2/3,-z+1/2", "-x+1/2,-y+2/3,z+1/2", "x+1/2,-y+2/3,z+1/2"], "universal_h_m": "P m m a (2*b+1/4,c,a-1/3)", "number": 51, "schoenflies": "D2h^5", "hall": "-P 2a 2a (1/2*y,z+1/3,x-1/4)", "hermann_mauguin": "P m m a", "ncsym": ["x,y,z", "-x,y,z", "x,y,-z", "-x,y,-z", "x+1/2,y,z", "-x+1/2,y,z", "x+1/2,y,-z", "-x+1/2,y,-z"], "short_h_m": "Pmma", "hermann_mauguin_u": "Pmma", "point_group": "mmm"}, {"symops": ["x,y,z", "-x,y,-z+1/2", "x,y+1/2,z", "-x,y+1/2,-z+1/2", "-x,-y,-z", "x,-y,z+1/2", "-x,-y+1/2,-z", "x,-y+1/2,z+1/2"], "universal_h_m": "P 1 2/c 1 (a,2*b,c)", "number": 13, "schoenflies": "C2h^4", "hall": "-P 2yc (x,1/2*y,z)", "hermann_mauguin": "P 1 2/c 1", "ncsym": ["x,y,z", "-x,y,-z+1/2", "x,y+1/2,z", "-x,y+1/2,-z+1/2"], "short_h_m": "P2/c", "hermann_mauguin_u": "P12/c1", "point_group": "2/m"}, {"symops": ["x,y,z", "-x,y,z", "x,-y,z", "-x,-y,z", "x+1/2,y,z", "-x+1/2,y,z", "x+1/2,-y,z", "-x+1/2,-y,z", "x,y+1/2,z", "-x,y+1/2,z", "x,-y+1/2,z", "-x,-y+1/2,z", "x+1/2,y+1/2,z", "-x+1/2,y+1/2,z", "x+1/2,-y+1/2,z", "-x+1/2,-y+1/2,z", "-x,-y,-z", "x,-y,-z", "-x,y,-z", "x,y,-z", "-x+1/2,-y,-z", "x+1/2,-y,-z", "-x+1/2,y,-z", "x+1/2,y,-z", "-x,-y+1/2,-z", "x,-y+1/2,-z", "-x,y+1/2,-z", "x,y+1/2,-z", "-x+1/2,-y+1/2,-z", "x+1/2,-y+1/2,-z", "-x+1/2,y+1/2,-z", "x+1/2,y+1/2,-z"], "universal_h_m": "P m m m (2*a,2*b,c)", "number": 47, "schoenflies": "D2h^1", "hall": "-P 2 2 (1/2*x,1/2*y,z)", "hermann_mauguin": "P m m m", "ncsym": ["x,y,z", "-x,y,z", "x,-y,z", "-x,-y,z", "x+1/2,y,z", "-x+1/2,y,z", "x+1/2,-y,z", "-x+1/2,-y,z"], "short_h_m": "Pmmm", "hermann_mauguin_u": "Pmmm", "point_group": "mmm"}, {"symops": ["x,y,z", "-x+1/2,y+1/2,-z"], "universal_h_m": "P 1 21 1 (a-1/4,b,c)", "number": 4, "schoenflies": "C2^2", "hall": " P 2yb (x+1/4,y,z)", "hermann_mauguin": "P 1 21 1", "ncsym": ["x,y,z", "-x+1/2,y+1/2,-z"], "short_h_m": "P2_1", "hermann_mauguin_u": "P12_11", "point_group": "2"}, {"symops": ["x,y,z", "-x+1/2,y+1/2,-z", "-x,-y,z+1/2", "x+1/2,-y+1/2,-z+1/2", "-x,-y,-z+1/2", "x+1/2,-y+1/2,z+1/2", "x,y,-z", "-x+1/2,y+1/2,z"], "universal_h_m": "P n m a (c,a-1/4,b)", "number": 62, "schoenflies": "D2h^16", "hall": "-P 2ac 2n (z,x,y+1/4)", "hermann_mauguin": "P n m a", "ncsym": ["x,y,z", "-x+1/2,y+1/2,-z", "-x,-y,z+1/2", "x+1/2,-y+1/2,-z+1/2", "-x,-y,-z+1/2", "x+1/2,-y+1/2,z+1/2", "x,y,-z", "-x+1/2,y+1/2,z"], "short_h_m": "Pnma", "hermann_mauguin_u": "Pnma", "point_group": "mmm"}] diff --git a/tests/analysis/test_piezo.py b/tests/analysis/test_piezo.py index 559d1a3cc75..0bd01459e6f 100644 --- a/tests/analysis/test_piezo.py +++ b/tests/analysis/test_piezo.py @@ -18,7 +18,7 @@ class TestPiezo(PymatgenTest): def setUp(self): - self.piezo_struc = self.get_structure("BaNiO3") + self.piezo_struct = self.get_structure("BaNiO3") self.voigt_matrix = np.array( [ [0.0, 0.0, 0.0, 0.0, 0.03839, 0.0], diff --git a/tests/core/test_surface.py b/tests/core/test_surface.py index 7c386a2c7e2..f910efdfa03 100644 --- a/tests/core/test_surface.py +++ b/tests/core/test_surface.py @@ -379,9 +379,9 @@ def test_get_slab(self): if sg.crystal_system == "hexagonal" or ( sg.crystal_system == "trigonal" and ( - sg.symbol.endswith("H") + sg.hexagonal or sg.int_number - in [143, 144, 145, 147, 149, 150, 151, 152, 153, 154, 156, 157, 158, 159, 162, 163, 164, 165] + in (143, 144, 145, 147, 149, 150, 151, 152, 153, 154, 156, 157, 158, 159, 162, 163, 164, 165) ) ): lattice = Lattice.hexagonal(5, 10) diff --git a/tests/files/.pytest-split-durations b/tests/files/.pytest-split-durations index 1f99ed37c72..35cd7f162b0 100644 --- a/tests/files/.pytest-split-durations +++ b/tests/files/.pytest-split-durations @@ -2017,7 +2017,7 @@ "tests/io/lobster/test_inputsenv.py::TestLobsterNeighbors::test_get_nn_info": 0.23225333401933312, "tests/io/lobster/test_inputsenv.py::TestLobsterNeighbors::test_get_plot_label": 0.2305897069745697, "tests/io/lobster/test_inputsenv.py::TestLobsterNeighbors::test_get_structure_environments": 0.2838197909295559, - "tests/io/lobster/test_inputsenv.py::TestLobsterNeighbors::test_get_strucuture_environments_further_tests": 0.2533352089812979, + "tests/io/lobster/test_inputsenv.py::TestLobsterNeighbors::test_get_structure_environments_further_tests": 0.2533352089812979, "tests/io/lobster/test_inputsenv.py::TestLobsterNeighbors::test_get_sum_icohps_between_neighbors_of_atom": 0.24758987501263618, "tests/io/lobster/test_inputsenv.py::TestLobsterNeighbors::test_molecules_allowed": 0.23277270805556327, "tests/io/lobster/test_inputsenv.py::TestLobsterNeighbors::test_order_parameter": 0.2319688760326244, diff --git a/tests/io/lobster/test_lobsterenv.py b/tests/io/lobster/test_lobsterenv.py index a97f2d5ecdd..9a4230e232e 100644 --- a/tests/io/lobster/test_lobsterenv.py +++ b/tests/io/lobster/test_lobsterenv.py @@ -687,7 +687,7 @@ def test_get_structure_environments(self): lse2 = self.chem_env_lobster1.get_light_structure_environment() assert lse2.coordination_environments[0][0]["ce_symbol"] == "O:6" - def test_get_strucuture_environments_further_tests(self): + def test_get_structure_environments_further_tests(self): lse = self.chem_env_lobster1_second.get_light_structure_environment() lse.as_dict() lse.get_statistics() diff --git a/tests/io/test_pwscf.py b/tests/io/test_pwscf.py index 7137f7f97a8..124e4784a42 100644 --- a/tests/io/test_pwscf.py +++ b/tests/io/test_pwscf.py @@ -376,7 +376,7 @@ def test_read_str(self): assert pw_in.sections["system"]["smearing"] == "cold" -class TestPWOuput(PymatgenTest): +class TestPWOutput(PymatgenTest): def setUp(self): self.pw_out = PWOutput(f"{TEST_DIR}/Si.pwscf.out") diff --git a/tests/io/vasp/test_sets.py b/tests/io/vasp/test_sets.py index 9f1a0c40bbb..354acd70b46 100644 --- a/tests/io/vasp/test_sets.py +++ b/tests/io/vasp/test_sets.py @@ -728,12 +728,12 @@ def test_init(self): vis = self.set(vis.structure, user_incar_settings={"LUSE_VDW": True, "LASPH": False}) vis.incar.items() with pytest.warns(BadInputSetWarning, match=r"LASPH"): - dummy_struc = Structure( + dummy_struct = Structure( lattice=[[0, 2, 2], [2, 0, 2], [2, 2, 0]], species=["Fe", "O"], coords=[[0, 0, 0], [0.5, 0.5, 0.5]], ) - vis = self.set(dummy_struc, user_incar_settings={"LDAU": True, "LASPH": False}) + vis = self.set(dummy_struct, user_incar_settings={"LDAU": True, "LASPH": False}) vis.incar.items() def test_user_incar_kspacing(self): diff --git a/tests/symmetry/test_groups.py b/tests/symmetry/test_groups.py index cee6793d2e7..ae9b3a0a9f7 100644 --- a/tests/symmetry/test_groups.py +++ b/tests/symmetry/test_groups.py @@ -16,18 +16,18 @@ ORDERED_SYMBOLS = ( "P1 P-1 P121 P12_11 C121 P1m1 P1c1 C1m1 C1c1 P12/m1 P12_1/m1 C12/m1 P12/c1 P12_1/c1 C12/c1 P222 P222_1" - " P2_12_12 P2_12_121 C222_1 C222 F222 I222 I2_12_121 Pmm2 Pmc2_1 Pcc2 Pma2 Pca2_1 Pnc2 Pmn2_1 Pba2 Pna2_1 Pnn2 " - "Cmm2 Cmc2_1 Ccc2 Amm2 Aem2 Ama2 Aea2 Fmm2 Fdd2 Imm2 Iba2 Ima2 Pmmm Pnnn1 Pccm Pban1 Pmma Pnna Pmna Pcca Pbam " - "Pccn Pbcm Pnnm Pmmn1 Pbcn Pbca Pnma Cmcm Cmce Cmmm Cccm Cmme Ccce1 Fmmm Fddd1 Immm Ibam Ibca Imma P4 P4_1 P4_2 " - "P4_3 I4 I4_1 P-4 I-4 P4/m P4_2/m P4/n1 P4_2/n I4/m I4_1/a P422 P42_12 P4_122 P4_12_12 P4_222 P4_22_12 P4_322 " + " P2_12_12 P2_12_12_1 C222_1 C222 F222 I222 I2_12_12_1 Pmm2 Pmc2_1 Pcc2 Pma2 Pca2_1 Pnc2 Pmn2_1 Pba2 Pna2_1 Pnn2 " + "Cmm2 Cmc2_1 Ccc2 Amm2 Aem2 Ama2 Aea2 Fmm2 Fdd2 Imm2 Iba2 Ima2 Pmmm Pnnn Pccm Pban Pmma Pnna Pmna Pcca Pbam " + "Pccn Pbcm Pnnm Pmmn Pbcn Pbca Pnma Cmcm Cmce Cmmm Cccm Cmme Ccce Fmmm Fddd Immm Ibam Ibca Imma P4 P4_1 P4_2 " + "P4_3 I4 I4_1 P-4 I-4 P4/m P4_2/m P4/n P4_2/n I4/m I4_1/a P422 P42_12 P4_122 P4_12_12 P4_222 P4_22_12 P4_322 " "P4_32_12 I422 I4_122 P4mm P4bm P4_2cm P4_2nm P4cc P4nc P4_2mc P4_2bc I4mm I4cm I4_1md I4_1cd P-42m P-42c P-42_1m " - "P-42_1c P-4m2 P-4c2 P-4b2 P-4n2 I-4m2 I-4c2 I-42m I-42d P4/mmm P4/mcc P4/nbm1 P4/nnc1 P4/mbm P4/mnc P4/nmm1 " - "P4/ncc1 P4_2/mmc P4_2/mcm P4_2/nbc P4_2/nnm P4_2/mbc P4_2/mnm P4_2/nmc P4_2/ncm I4/mmm I4/mcm I4_1/amd I4_1/acd " - "P3 P3_1 P3_2 R3H P-3 R-3H P312 P321 P3_112 P3_121 P3_212 P3_221 R32H P3m1 P31m P3c1 P31c R3mH R3cH P-31m P-31c " - "P-3m1 P-3c1 R-3mH R-3cH P6 P6_1 P6_5 P6_2 P6_4 P6_3 P-6 P6/m P6_3/m P622 P6_122 P6_522 P6_222 P6_422 P6_322 " + "P-42_1c P-4m2 P-4c2 P-4b2 P-4n2 I-4m2 I-4c2 I-42m I-42d P4/mmm P4/mcc P4/nbm P4/nnc P4/mbm P4/mnc P4/nmm " + "P4/ncc P4_2/mmc P4_2/mcm P4_2/nbc P4_2/nnm P4_2/mbc P4_2/mnm P4_2/nmc P4_2/ncm I4/mmm I4/mcm I4_1/amd I4_1/acd " + "P3 P3_1 P3_2 R3 P-3 R-3 P312 P321 P3_112 P3_121 P3_212 P3_221 R32 P3m1 P31m P3c1 P31c R3m R3c P-31m P-31c " + "P-3m1 P-3c1 R-3m R-3c P6 P6_1 P6_5 P6_2 P6_4 P6_3 P-6 P6/m P6_3/m P622 P6_122 P6_522 P6_222 P6_422 P6_322 " "P6mm P6cc P6_3cm P6_3mc P-6m2 P-6c2 P-62m P-62c P6/mmm P6/mcc P6_3/mcm P6_3/mmc P23 F23 I23 P2_13 I2_13 Pm-3 " - "Pn-31 Fm-3 Fd-31 Im-3 Pa-3 Ia-3 P432 P4_232 F432 F4_132 I432 P4_332 P4_132 I4_132 P-43m F-43m I-43m P-43n F-43c " - "I-43d Pm-3m Pn-3n1 Pm-3n Pn-3m1 Fm-3m Fm-3c Fd-3m1 Fd-3c1 Im-3m Ia-3d" + "Pn-3 Fm-3 Fd-3 Im-3 Pa-3 Ia-3 P432 P4_232 F432 F4_132 I432 P4_332 P4_132 I4_132 P-43m F-43m I-43m P-43n F-43c " + "I-43d Pm-3m Pn-3n Pm-3n Pn-3m Fm-3m Fm-3c Fd-3m Fd-3c Im-3m Ia-3d" ).split() @@ -60,6 +60,14 @@ def test_is_sub_super_group(self): assert pg_3m.is_subgroup(pg_6mmm) assert not pg_m3m.is_supergroup(pg_6mmm) + def test_from_space_group(self): + assert PointGroup.from_space_group("P 2_1/n2_1/m2_1/a").symbol == "mmm" + assert PointGroup.from_space_group("F d d d").symbol == "mmm" + assert PointGroup.from_space_group("I -4").symbol == "-4" + assert PointGroup.from_space_group("P4_32_12_1").symbol == "422" + assert PointGroup.from_space_group("F4_1/d-32/m").symbol == "m-3m" + assert PointGroup.from_space_group("P121").symbol == "2" + class TestSpaceGroup: def test_renamed_e_symbols(self): @@ -99,17 +107,9 @@ def test_order_symm_ops(self): def test_get_settings(self): assert SpaceGroup.get_settings("Fm-3m") == {"Fm-3m(a-1/4,b-1/4,c-1/4)", "Fm-3m"} - assert SpaceGroup.get_settings("Pmmn") == { - "Pmmn", - "Pmnm:1", - "Pnmm:2", - "Pmnm:2", - "Pnmm", - "Pnmm:1", - "Pmmn:1", - "Pmnm", - "Pmmn:2", - } + + pmmn_settings = {"Pmmn", "Pmnm:1", "Pnmm:2", "Pmnm:2", "Pnmm", "Pnmm:1", "Pmmn:1", "Pmnm", "Pmmn:2"} + assert SpaceGroup.get_settings("Pmmn") == pmmn_settings assert SpaceGroup.get_settings("Pmna") == {"Pnmb", "Pman", "Pncm", "Pmna", "Pcnm", "Pbmn"} def test_crystal_system(self): @@ -149,6 +149,13 @@ def test_is_compatible(self): assert sg.is_compatible(cubic) assert sg.is_compatible(rhom) assert not sg.is_compatible(hexagonal) + sg = SpaceGroup("R-3m", hexagonal=True) + assert not sg.is_compatible(cubic) + assert sg.is_compatible(hexagonal) + sg = SpaceGroup("R-3m", hexagonal=False) + assert sg.is_compatible(cubic) + assert sg.is_compatible(rhom) + assert not sg.is_compatible(hexagonal) sg = SpaceGroup("Pnma") assert sg.is_compatible(cubic) assert sg.is_compatible(tet) @@ -200,15 +207,34 @@ def test_subgroup_supergroup(self): def test_hexagonal(self): for num in (146, 148, 155, 160, 161, 166, 167): sg = SpaceGroup.from_int_number(num, hexagonal=False) - assert not sg.symbol.endswith("H") + assert sg.hexagonal is False + sg = SpaceGroup.from_int_number(num, hexagonal=True) + assert sg.hexagonal is True + + def test_full_symbol_warning(self): + warning_msg = "Full symbol not available, falling back to short Hermann Mauguin symbol P2_1ma instead" + # TODO need to find a way to reset the warnings registry. + # by default, warnings are raised only once and the same warning being tested here is raised below by + # assert sg.to_unicode_string() == "P2₁ma" + # so don't move this test below test_string + + with pytest.warns(UserWarning, match=warning_msg) as warns: + _ = SpaceGroup("P2_1ma") + assert len(warns) == 1 def test_string(self): sg = SpaceGroup("R-3c") - assert sg.to_latex_string() == r"R$\overline{3}$cH" + assert sg.to_latex_string() == r"R$\overline{3}$c" sg = SpaceGroup("P6/mmm") assert sg.to_latex_string() == "P6/mmm" sg = SpaceGroup("P4_1") assert sg.to_unicode_string() == "P4₁" + sg = SpaceGroup("P41") # Added after issue #3862 + assert sg.to_unicode_string() == "P4₁" + sg = SpaceGroup("P21ma") # Added after issue #3862 + assert sg.to_unicode_string() == "P2₁ma" + sg = SpaceGroup("P2_1ma") # Added after issue #3862 + assert sg.to_unicode_string() == "P2₁ma" def test_repr(self): for num in range(1, 231): @@ -216,6 +242,11 @@ def test_repr(self): symbol = ORDERED_SYMBOLS[num - 1] assert repr(sg) in f"SpaceGroup({symbol=})" + def test_valid_symbol(self): # Added after issue #3845 + for num in range(1, 231): + symbol = SpaceGroup.from_int_number(num).symbol + assert SpaceGroup(symbol).int_number == num + def test_raises_on_bad_int_number(self): for num in (-5, 0, 231, 1000): with pytest.raises(ValueError, match=f"International number must be between 1 and 230, got {num}"): diff --git a/tests/util/test_typing.py b/tests/util/test_typing.py index 7790c437cd4..9b56e8d4705 100644 --- a/tests/util/test_typing.py +++ b/tests/util/test_typing.py @@ -68,7 +68,7 @@ def test_composition_like(): def test_pbc_like(): - assert type(PbcLike) == GenericAlias + assert isinstance(PbcLike, GenericAlias) assert get_args(PbcLike) == (bool, bool, bool)