LMucko/crystallography-open-database huggingface dataset:
Structure and thermal behavior of metastable sillenites obtainedby mechanosynthesis
Zyryanov, V.V.; Zhurnal Strukturnoi Khimii (Issue-No. from 1981) 45 (2004) 480–490; doi:

data_1540009
_publ_section_title
;
 Structure and thermal behavior of metastable sillenites obtainedby
 mechanosynthesis
;
_journal_name_full
'Zhurnal Strukturnoi Khimii (Issue-No. from 1981)'
_journal_page_first              480
_journal_page_last               490
_journal_volume                  45
_journal_year                    2004
_chemical_formula_sum            'Bi12 Cd0.7 O18.7'
_space_group_IT_number           197
_symmetry_space_group_name_Hall  'I 2 2 3'
_symmetry_space_group_name_H-M   'I 2 3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   10.194
_cell_length_b                   10.194
_cell_length_c                   10.194
_cell_volume                     1059.336
_citation_journal_id_ASTM        ZSTKAI
_cod_data_source_file            Zyryanov_ZSTKAI_2004_577.cif
_cod_data_source_block           Bi12Cd0.7O18.7
_cod_database_code               1540009
Die Kristallstruktur des Ba Zn O2
von Schnering, H.G.; Hoppe, R.; Zemann, J.; Zeitschrift fuer Anorganische und Allgemeine Chemie 305 (1960) 241–254; doi:

data_1540010
_publ_section_title
;
 Die Kristallstruktur des Ba Zn O2
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              241
_journal_page_last               254
_journal_volume                  305
_journal_year                    1960
_chemical_formula_sum            'Ba O2 Zn'
_chemical_name_systematic        'Ba Zn O2'
_space_group_IT_number           152
_symmetry_space_group_name_Hall  'P 31 2"'
_symmetry_space_group_name_H-M   'P 31 2 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   5.886
_cell_length_b                   5.886
_cell_length_c                   6.734
_cell_volume                     202.043
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            vonSchnering_ZAACAB_1960_799.cif
_cod_data_source_block           Ba1O2Zn1
_cod_original_cell_volume        202.0432
_cod_original_formula_sum        'Ba1 O2 Zn1'
_cod_database_code               1540010
Zur Kenntnis des Ba2 Zn S3
von Schnering, H.G.; Hoppe, R.; Zeitschrift fuer Anorganische und Allgemeine Chemie 312 (1961) 99–109; doi:

data_1540011
_publ_section_title
;
 Zur Kenntnis des Ba2 Zn S3
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              99
_journal_page_last               109
_journal_volume                  312
_journal_year                    1961
_chemical_formula_sum            'Ba2 S3 Zn'
_chemical_name_systematic        'Ba2 Zn S3'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2c 2n'
_symmetry_space_group_name_H-M   'P n a m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.05
_cell_length_b                   12.65
_cell_length_c                   4.21
_cell_volume                     641.741
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            vonSchnering_ZAACAB_1961_794.cif
_cod_data_source_block           Ba2S3Zn1
_cod_original_cell_volume        641.7408
_cod_original_sg_symbol_Hall     '-P 2ac 2n (-x,z,y)'
_cod_original_formula_sum        'Ba2 S3 Zn1'
_cod_database_code               1540011
Die Kristallstruktur des Sr Zn O2
von Schnering, H.G.; Hoppe, R.; Zeitschrift fuer Anorganische und Allgemeine Chemie 312 (1961) 87–98; doi:

data_1540012
_publ_section_title
;
 Die Kristallstruktur des Sr Zn O2
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              87
_journal_page_last               98
_journal_volume                  312
_journal_year                    1961
_chemical_formula_sum            'O2 Sr Zn'
_chemical_name_systematic        'Sr Zn O2'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2bc 2a'
_symmetry_space_group_name_H-M   'P m n b'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   3.35
_cell_length_b                   5.84
_cell_length_c                   11.37
_cell_volume                     222.443
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            vonSchnering_ZAACAB_1961_796.cif
_cod_data_source_block           O2Sr1Zn1
_cod_original_cell_volume        222.4427
_cod_original_sg_symbol_Hall     '-P 2ac 2n (y,-x,z)'
_cod_original_formula_sum        'O2 Sr1 Zn1'
_cod_database_code               1540012
Die Kristallstruktur des Ba Cd O2
von Schnering, H.G.; Zeitschrift fuer Anorganische und Allgemeine Chemie 314 (1962) 144–155; doi:

data_1540013
_publ_section_title
;
 Die Kristallstruktur des Ba Cd O2
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              144
_journal_page_last               155
_journal_volume                  314
_journal_year                    1962
_chemical_formula_sum            'Ba Cd O2'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2bc 2a'
_symmetry_space_group_name_H-M   'P m n b'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   3.66
_cell_length_b                   6.168
_cell_length_c                   11.95
_cell_volume                     269.770
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            vonSchnering_ZAACAB_1962_795.cif
_cod_data_source_block           Ba1Cd1O2
_cod_original_cell_volume        269.7698
_cod_original_sg_symbol_Hall     '-P 2ac 2n (y,-x,z)'
_cod_original_formula_sum        'Ba1 Cd1 O2'
_cod_database_code               1540013
Die Kristallstruktur von Nb S2 Cl2
von Schnering, H.G.; Beckmann, W.; Zeitschrift fuer Anorganische und Allgemeine Chemie 347 (1966) 231–239; doi:

data_1540014
_publ_section_title
;
 Die Kristallstruktur von Nb S2 Cl2
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              231
_journal_page_last               239
_journal_volume                  347
_journal_year                    1966
_chemical_formula_sum            'Cl2 Nb S2'
_chemical_name_systematic        'Nb S2 Cl2'
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-C 2y (x-1/2*z,y,1/2*z)'
_symmetry_space_group_name_H-M   'C 1 2/m 1 (a,b,a+2*c)'
_cell_angle_alpha                90
_cell_angle_beta                 96.9
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   12.603
_cell_length_b                   11.113
_cell_length_c                   6.301
_cell_volume                     876.108
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            vonSchnering_ZAACAB_1966_858.cif
_cod_data_source_block           Cl2Nb1S2
_cod_original_cell_volume        876.1084
_cod_original_formula_sum        'Cl2 Nb1 S2'
_cod_database_code               1540014
Die Kristallstruktur von Hg (Mo6 Cl8) Cl6
von Schnering, H.G.; Zeitschrift fuer Anorganische und Allgemeine Chemie 385 (1971) 75–84; doi:

data_1540015
_publ_section_title
;
 Die Kristallstruktur von Hg (Mo6 Cl8) Cl6
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              75
_journal_page_last               84
_journal_volume                  385
_journal_year                    1971
_chemical_formula_sum            'Cl14 Hg Mo6'
_chemical_name_systematic        'Hg (Mo6 Cl8) Cl6'
_space_group_IT_number           201
_symmetry_space_group_name_Hall  'P 2 2 3 -1n'
_symmetry_space_group_name_H-M   'P n -3 :1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.706
_cell_length_b                   12.706
_cell_length_c                   12.706
_cell_volume                     2051.288
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            vonSchnering_ZAACAB_1971_1049.cif
_cod_data_source_block           Cl14Hg1Mo6
_cod_original_sg_symbol_Hall     '-P 2ab 2bc 3 (x-1/4,y-1/4,z-1/4)'
_cod_original_formula_sum        'Cl14 Hg1 Mo6'
_cod_database_code               1540015
Dibariumheptaphosphidchlorid Ba2 P7 Cl, eine Verbindung mit dem polycyklischen Anion P7(3-)
von Schnering, H.G.; Menge, G.; Zeitschrift fuer Anorganische und Allgemeine Chemie 481 (1981) 33–40; doi:

data_1540016
_publ_section_title
;
 Dibariumheptaphosphidchlorid Ba2 P7 Cl, eine Verbindung mit dem
 polycyklischen Anion P7(3-)
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              33
_journal_page_last               40
_journal_volume                  481
_journal_year                    1981
_chemical_formula_sum            'Ba2 Cl P7'
_chemical_name_systematic        'Ba2 P7 Cl'
_space_group_IT_number           11
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 95.27
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   11.726
_cell_length_b                   6.829
_cell_length_c                   6.337
_cell_volume                     505.302
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            vonSchnering_ZAACAB_1981_10.cif
_cod_data_source_block           Ba2Cl1P7
_cod_original_formula_sum        'Ba2 Cl1 P7'
_cod_database_code               1540016
Arseniden-Komplexe: Synthesen, Substitutionsreaktionen, Spektren und Strukturen von X As ((C O)5 Cr)2 und X As (eta5 - C5 H5 (C O)2 Mn)2 (X = Aryl, Halogen, RE mit E = O, S, Se
von Seyerl, J.; Schmid, H.G.; Sigwarth, B.; Mohr, G.; Huttner, G.; Frank, A.; Marsili, M.; Chemische Berichte 114 (1981) 1392–1406; doi:

data_1540017
_publ_section_title
;
 Arseniden-Komplexe: Synthesen, Substitutionsreaktionen, Spektren und
 Strukturen von X As ((C O)5 Cr)2 und X As (eta5 - C5 H5 (C O)2 Mn)2 (X =
 Aryl, Halogen, RE mit E = O, S, Se
;
_journal_name_full               'Chemische Berichte'
_journal_page_first              1392
_journal_page_last               1406
_journal_volume                  114
_journal_year                    1981
_chemical_formula_sum            'C10 As Cl Cr2 O10'
_chemical_name_systematic        '(Cr (C O)5)2 As Cl'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 107.85
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.991
_cell_length_b                   11.43
_cell_length_c                   21.361
_cell_volume                     1624.730
_citation_journal_id_ASTM        CHBEAM
_cod_data_source_file            vonSeyerl_CHBEAM_1981_1303.cif
_cod_data_source_block           C10As1Cl1Cr2O10
_cod_original_cell_volume        1624.73
_cod_original_formula_sum        'C10 As1 Cl1 Cr2 O10'
_cod_database_code               1540017
Synthese, Strukturen und Eigenschaften von Cl2TeSeN2S und (Se2N2S)2(2+) (XSO3(-))2 (X= F, CF3)
Haas, A.; Kasprowski, J.; Pryka, M.; Chemische Berichte 125 (1992) 789–792; doi:

data_1540037
_publ_section_title
;
 Synthese, Strukturen und Eigenschaften von Cl2TeSeN2S und (Se2N2S)2(2+)
 (XSO3(-))2 (X= F, CF3)
;
_journal_name_full               'Chemische Berichte'
_journal_page_first              789
_journal_page_last               792
_journal_volume                  125
_journal_year                    1992
_chemical_formula_sum            'C F3 N2 O3 S2 Se2'
_chemical_name_systematic        'S Se2 N2 (F3 C) S O3'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 90.55
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.657
_cell_length_b                   10.783
_cell_length_c                   8.893
_cell_volume                     830.109
_citation_journal_id_ASTM        CHBEAM
_cod_data_source_file            Haas_CHBEAM_1992_1527.cif
_cod_data_source_block           C2F6N4O6S4Se4
_cod_depositor_comments
;

2017-03-25
Z value and formula fixed to values more according to usual
chemical conventions.                 miguel
;
_cod_original_formula_sum            'C2 F6 N4 O6 S4 Se4'
_cod_original_formula_units_Z            2
_cod_original_cell_volume        830.1093
_cod_original_sg_symbol_Hall     '-P 2ybc (x-z,y,z)'
_cod_database_code               1540037
Synthese, Strukturen und Eigenschaften von Cl2 Te Se N2 S und (Se2 N2 S)2(2+) (X S O3(-))2 (X= F, C F3)
Haas, A.; Kasprowski, J.; Pryka, M.; Chemische Berichte 125 (1992) 789–792; doi:

data_1540038
_publ_section_title
;
 Synthese, Strukturen und Eigenschaften von Cl2 Te Se N2 S und (Se2 N2
 S)2(2+) (X S O3(-))2 (X= F, C F3)
;
_journal_name_full               'Chemische Berichte'
_journal_page_first              789
_journal_page_last               792
_journal_volume                  125
_journal_year                    1992
_chemical_formula_sum            'Cl2 N2 S Se Te'
_chemical_name_systematic        '(Cl2 Te) S Se N2'
_space_group_IT_number           61
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   8.432
_cell_length_b                   7.939
_cell_length_c                   19.974
_cell_volume                     1337.092
_citation_journal_id_ASTM        CHBEAM
_cod_data_source_file            Haas_CHBEAM_1992_1528.cif
_cod_data_source_block           Cl2N2S1Se1Te1
_cod_original_cell_volume        1337.093
_cod_original_formula_sum        'Cl2 N2 S1 Se1 Te1'
_cod_database_code               1540038
Electronic structure of mixed uranium-thorium monochalcogenides
Haessler, M.; de Novion, C.H.; Damien, D.; Plutonium and other Actinides, Proc. Int. Conf., Baden Baden 1975 (1976) 649–656; doi:

data_1540039
_publ_section_title
;
 Electronic structure of mixed uranium-thorium monochalcogenides
;
_journal_name_full
;
Plutonium and other Actinides, Proc. Int. Conf., Baden Baden
;
_journal_page_first              649
_journal_page_last               656
_journal_volume                  1975
_journal_year                    1976
_chemical_formula_sum            'Te U'
_chemical_name_systematic        'U Te'
_space_group_IT_number           225
_symmetry_space_group_name_Hall  '-F 4 2 3'
_symmetry_space_group_name_H-M   'F m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.152
_cell_length_b                   6.152
_cell_length_c                   6.152
_cell_volume                     232.835
_citation_journal_id_ASTM        33IYA6
_cod_data_source_file            Haessler_33IYA6_1976_143.cif
_cod_data_source_block           Te1U1
_cod_original_cell_volume        232.8354
_cod_original_formula_sum        'Te1 U1'
_cod_database_code               1540039
Ueber Subchalkogenidphasen des Titans
Hahn, H.; Ness, P.; Zeitschrift fuer Anorganische und Allgemeine Chemie 302 (1959) 136–154; doi:

data_1540040
_publ_section_title
;
 Ueber Subchalkogenidphasen des Titans
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              136
_journal_page_last               154
_journal_volume                  302
_journal_year                    1959
_chemical_formula_sum            'Te Zr'
_chemical_name_systematic        'Zr Te'
_space_group_IT_number           194
_symmetry_space_group_name_Hall  '-P 6c 2c'
_symmetry_space_group_name_H-M   'P 63/m m c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   3.953
_cell_length_b                   3.953
_cell_length_c                   6.647
_cell_volume                     89.952
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Hahn_ZAACAB_1959_157.cif
_cod_data_source_block           Te1Zr1
_cod_original_cell_volume        89.95182
_cod_original_formula_sum        'Te1 Zr1'
_cod_database_code               1540040
Magnetic structure of ternary rare earth carbides of the type R2Fe17C
Haije, W.G.; Jacobs, T.H.; Buschow, K.H.J.; Journal of the Less-Common Metals 163 (1990) 353–359; doi:

data_1540041
_publ_section_title
;
 Magnetic structure of ternary rare earth carbides of the type R2Fe17C
;
_journal_name_full               'Journal of the Less-Common Metals'
_journal_page_first              353
_journal_page_last               359
_journal_volume                  163
_journal_year                    1990
_chemical_formula_sum            'C Fe17 Y2'
_chemical_name_systematic        'Y2 Fe17 C'
_space_group_IT_number           166
_symmetry_space_group_name_Hall  '-R 3 2"'
_symmetry_space_group_name_H-M   'R -3 m :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   8.5927
_cell_length_b                   8.5927
_cell_length_c                   12.4616
_cell_volume                     796.826
_citation_journal_id_ASTM        JCOMAH
_cod_data_source_file            Haije_JCOMAH_1990_1358.cif
_cod_data_source_block           C1Fe17Y2
_cod_original_cell_volume        796.8265
_cod_original_formula_sum        'C1 Fe17 Y2'
_cod_database_code               1540041
Magnetic structure of ternary rare earth carbides of the type R2Fe17C
Haije, W.G.; Jacobs, T.H.; Buschow, K.H.J.; Journal of the Less-Common Metals 163 (1990) 353–359; doi:

data_1540042
_publ_section_title
;
 Magnetic structure of ternary rare earth carbides of the type R2Fe17C
;
_journal_name_full               'Journal of the Less-Common Metals'
_journal_page_first              353
_journal_page_last               359
_journal_volume                  163
_journal_year                    1990
_chemical_formula_sum            'C0.82 Fe17 Tb2'
_chemical_name_systematic        'Tb2 Fe17 C0.82'
_space_group_IT_number           166
_symmetry_space_group_name_Hall  '-R 3 2"'
_symmetry_space_group_name_H-M   'R -3 m :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   8.6068
_cell_length_b                   8.6068
_cell_length_c                   12.4619
_cell_volume                     799.463
_citation_journal_id_ASTM        JCOMAH
_cod_data_source_file            Haije_JCOMAH_1990_1359.cif
_cod_data_source_block           C0.82Fe17Tb2
_cod_original_cell_volume        799.4629
_cod_database_code               1540042
Magnetic structure of ternary rare earth carbides of the type R2Fe17C
Haije, W.G.; Jacobs, T.H.; Buschow, K.H.J.; Journal of the Less-Common Metals 163 (1990) 353–359; doi:

data_1540043
_publ_section_title
;
 Magnetic structure of ternary rare earth carbides of the type R2Fe17C
;
_journal_name_full               'Journal of the Less-Common Metals'
_journal_page_first              353
_journal_page_last               359
_journal_volume                  163
_journal_year                    1990
_chemical_formula_sum            'C0.88 Dy2 Fe17'
_chemical_name_systematic        'Dy2 Fe17 C0.88'
_space_group_IT_number           166
_symmetry_space_group_name_Hall  '-R 3 2"'
_symmetry_space_group_name_H-M   'R -3 m :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   8.5947
_cell_length_b                   8.5947
_cell_length_c                   12.4504
_cell_volume                     796.481
_citation_journal_id_ASTM        JCOMAH
_cod_data_source_file            Haije_JCOMAH_1990_1360.cif
_cod_data_source_block           C0.88Dy2Fe17
_cod_original_cell_volume        796.4809
_cod_database_code               1540043
Magnetic structure of ternary rare earth carbides of the type R2Fe17C
Haije, W.G.; Jacobs, T.H.; Buschow, K.H.J.; Journal of the Less-Common Metals 163 (1990) 353–359; doi:

data_1540044
_publ_section_title
;
 Magnetic structure of ternary rare earth carbides of the type R2Fe17C
;
_journal_name_full               'Journal of the Less-Common Metals'
_journal_page_first              353
_journal_page_last               359
_journal_volume                  163
_journal_year                    1990
_chemical_formula_sum            'C0.88 Fe17 Ho2'
_chemical_name_systematic        'Ho2 Fe17 C0.88'
_space_group_IT_number           166
_symmetry_space_group_name_Hall  '-R 3 2"'
_symmetry_space_group_name_H-M   'R -3 m :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   8.5493
_cell_length_b                   8.5493
_cell_length_c                   12.4585
_cell_volume                     788.601
_citation_journal_id_ASTM        JCOMAH
_cod_data_source_file            Haije_JCOMAH_1990_1361.cif
_cod_data_source_block           C0.88Fe17Ho2
_cod_original_cell_volume        788.6014
_cod_database_code               1540044
Magnetic structure of ternary rare earth carbides of the type R2Fe17C
Haije, W.G.; Jacobs, T.H.; Buschow, K.H.J.; Journal of the Less-Common Metals 163 (1990) 353–359; doi:

data_1540045
_publ_section_title
;
 Magnetic structure of ternary rare earth carbides of the type R2Fe17C
;
_journal_name_full               'Journal of the Less-Common Metals'
_journal_page_first              353
_journal_page_last               359
_journal_volume                  163
_journal_year                    1990
_chemical_formula_sum            'C0.8 Fe17 Tb2'
_chemical_name_systematic        'Tb2 Fe17 C0.8'
_space_group_IT_number           166
_symmetry_space_group_name_Hall  '-R 3 2"'
_symmetry_space_group_name_H-M   'R -3 m :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
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