LMucko/crystallography-open-database huggingface dataset:
An X-ray investigation of the systems Ca O - Bi2 O3, Sr O - Bi2 O3, and Ba O - Bi2 O3 - O. (Mixed oxides with a defect oxygen lattice)
Aurivillius, B.; Arkiv foer Kemi, Mineralogi och Geologi, A 16 (1943) 1–13; doi:

data_1534188
_publ_section_title
;
 An X-ray investigation of the systems Ca O - Bi2 O3, Sr O - Bi2 O3, and
 Ba O - Bi2 O3 - O. (Mixed oxides with a defect oxygen lattice)
;
_journal_name_full               'Arkiv foer Kemi, Mineralogi och Geologi, A'
_journal_page_first              1
_journal_page_last               13
_journal_volume                  16
_journal_year                    1943
_chemical_formula_sum            'Ba0.726 Bi1.261 O2.65'
_chemical_name_systematic        'Ba.726 Bi1.261 O2.65'
_space_group_IT_number           115
_symmetry_space_group_name_Hall  'P -4 -2'
_symmetry_space_group_name_H-M   'P -4 m 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   4.35
_cell_length_b                   4.35
_cell_length_c                   4.49
_cell_volume                     84.962
_citation_journal_id_ASTM        ARKGAJ
_cod_data_source_file            Aurivillius_ARKGAJ_1943_108.cif
_cod_data_source_block           Ba0.726Bi1.261O2.65
_cod_original_cell_volume        84.96201
_cod_database_code               1534188
Ferroelectricity in the compound Ba2 Bi4 Ti5 O18
Aurivillius, B.; Fang, P.H.; Physical Review, Section A (133,1964-188,1969) 126 (1962) 893–896; doi:

data_1534189
_publ_section_title
;
 Ferroelectricity in the compound Ba2 Bi4 Ti5 O18
;
_journal_name_full
'Physical Review, Section A (133,1964-188,1969)'
_journal_page_first              893
_journal_page_last               896
_journal_volume                  126
_journal_year                    1962
_chemical_formula_sum            'Ba2 Bi4 O18 Ti5'
_chemical_name_systematic        'Ba2 Bi4 Ti5 O18'
_space_group_IT_number           139
_symmetry_space_group_name_Hall  '-I 4 2'
_symmetry_space_group_name_H-M   'I 4/m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   3.88
_cell_length_b                   3.88
_cell_length_c                   50.29999
_cell_volume                     757.236
_citation_journal_id_ASTM        PRVAAH
_cod_data_source_file            Aurivillius_PRVAAH_1962_1929.cif
_cod_data_source_block           Ba2Bi4O18Ti5
_cod_original_cell_volume        757.2363
_cod_database_code               1534189
Carbon Positions in Uranium Carbides
Austin, A.E.; Acta Crystallographica (1,1948-23,1967) 12 (1959) 159–161; doi:

data_2310726
_publ_section_title
;
 Carbon Positions in Uranium Carbides
;
_journal_name_full               'Acta Crystallographica (1,1948-23,1967)'
_journal_page_first              159
_journal_page_last               161
_journal_volume                  12
_journal_year                    1959
_chemical_formula_sum            'C3 U2'
_chemical_name_systematic        'U2 C3'
_space_group_IT_number           220
_symmetry_space_group_name_Hall  'I -4bd 2c 3'
_symmetry_space_group_name_H-M   'I -4 3 d'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   8.0885
_cell_length_b                   8.0885
_cell_length_c                   8.0885
_cell_volume                     529.181
_citation_journal_id_ASTM        ACCRA9
_cod_data_source_file            Austin_ACCRA9_1959_1358.cif
_cod_data_source_block           C3U2
_cod_original_cell_volume        529.1807
_cod_database_code               2310726
Carbon positions in uranium carbides
Austin, A.E.; Acta Crystallographica (1,1948-23,1967) 12 (1959) 159–161; doi:

data_2310727
_publ_section_title
;
 Carbon positions in uranium carbides
;
_journal_name_full               'Acta Crystallographica (1,1948-23,1967)'
_journal_page_first              159
_journal_page_last               161
_journal_volume                  12
_journal_year                    1959
_chemical_formula_sum            'C2 U'
_chemical_name_systematic        'U C2'
_space_group_IT_number           139
_symmetry_space_group_name_Hall  '-I 4 2'
_symmetry_space_group_name_H-M   'I 4/m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   3.509
_cell_length_b                   3.509
_cell_length_c                   5.98
_cell_volume                     73.632
_citation_journal_id_ASTM        ACCRA9
_cod_data_source_file            Austin_ACCRA9_1959_1359.cif
_cod_data_source_block           C2U1
_cod_original_cell_volume        73.63223
_cod_original_formula_sum        'C2 U1'
_cod_database_code               2310727
Crystal structure and fast ionic conduction of Tl Zr F5
Avignant, D.; Mansouri, I.; Chevalier, R.; Cousseins, J.C.; Journal of Solid State Chemistry 38 (1981) 121–127; doi:

data_1534190
_publ_section_title
;
 Crystal structure and fast ionic conduction of Tl Zr F5
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              121
_journal_page_last               127
_journal_volume                  38
_journal_year                    1981
_chemical_formula_sum            'F5 Tl Zr'
_chemical_name_systematic        'Tl (Zr F5)'
_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                 123.99
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.112
_cell_length_b                   7.927
_cell_length_c                   7.929
_cell_volume                     422.747
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Avignant_JSSCBI_1981_1416.cif
_cod_data_source_block           F5Tl1Zr1
_cod_original_formula_sum        'F5 Tl1 Zr1'
_cod_database_code               1534190
Crystal structure of some niobium and tantalum oxides. IV. The structure of K Ta5 O13 and its relationship to the alpha Pb O2 structure
Awadalla, A.A.; Gatehouse, B.M.; Journal of Solid State Chemistry 24 (1978) 183–187; doi:

data_1534191
_publ_section_title
;
 Crystal structure of some niobium and tantalum oxides. IV. The structure
 of K Ta5 O13 and its relationship to the alpha Pb O2 structure
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              183
_journal_page_last               187
_journal_volume                  24
_journal_year                    1978
_chemical_formula_sum            'K O13 Ta5'
_chemical_name_systematic        'K (Ta5 O13)'
_space_group_IT_number           57
_symmetry_space_group_name_Hall  '-P 2c 2b'
_symmetry_space_group_name_H-M   'P b c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.653
_cell_length_b                   10.708
_cell_length_c                   16.799
_cell_volume                     1016.883
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Awadalla_JSSCBI_1978_144.cif
_cod_data_source_block           K1O13Ta5
_cod_original_formula_sum        'K1 O13 Ta5'
_cod_database_code               1534191
Die Kristallstruktur von Iridium(III)-Chlorid-beta
Babel, D.; Deigner, P.; Zeitschrift fuer Anorganische und Allgemeine Chemie 339 (1965) 57–66; doi:

data_1534192
_publ_section_title
;
 Die Kristallstruktur von Iridium(III)-Chlorid-beta
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              57
_journal_page_last               66
_journal_volume                  339
_journal_year                    1965
_chemical_formula_sum            'Cl3 Ir'
_chemical_name_systematic        'Ir Cl3'
_space_group_IT_number           70
_symmetry_space_group_name_Hall  '-F 2uv 2vw'
_symmetry_space_group_name_H-M   'F d d d :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            16
_cell_length_a                   6.95
_cell_length_b                   9.81
_cell_length_c                   20.82
_cell_volume                     1419.497
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Babel_ZAACAB_1965_920.cif
_cod_data_source_block           Cl3Ir1
_cod_original_formula_sum        'Cl3 Ir1'
_cod_database_code               1534192
Erdalkaliiridium(IV) - oxide: Struktur von Dicalciumiridium(IV) - oxid, Ca2 Ir O4
Babel, D.; Ruedorff, W.; Tschoepp, R.; Zeitschrift fuer Anorganische und Allgemeine Chemie 347 (1966) 282–288; doi:

data_1534193
_publ_section_title
;
 Erdalkaliiridium(IV) - oxide: Struktur von Dicalciumiridium(IV) - oxid,
 Ca2 Ir O4
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              282
_journal_page_last               288
_journal_volume                  347
_journal_year                    1966
_chemical_formula_sum            'Ca2 Ir O4'
_space_group_IT_number           189
_symmetry_space_group_name_Hall  'P -6 -2'
_symmetry_space_group_name_H-M   'P -6 2 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   9.423
_cell_length_b                   9.423
_cell_length_c                   3.195
_cell_volume                     245.686
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Babel_ZAACAB_1966_763.cif
_cod_data_source_block           Ca2Ir1O4
_cod_original_cell_volume        245.6857
_cod_original_formula_sum        'Ca2 Ir1 O4'
_cod_database_code               1534193
Die Kristallstruktur des Descloizit
Bachmann, H.G.; Acta Crystallographica (1,1948-23,1967) 6 (1953) 102–102; doi:

data_2310728
_publ_section_title
;
 Die Kristallstruktur des Descloizit
;
_journal_name_full               'Acta Crystallographica (1,1948-23,1967)'
_journal_page_first              102
_journal_page_last               102
_journal_volume                  6
_journal_year                    1953
_chemical_formula_sum            'H O5 Pb V Zn'
_chemical_name_systematic        'Pb Zn (V O4) (O H)'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2n 2a'
_symmetry_space_group_name_H-M   'P m c n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.05
_cell_length_b                   9.39
_cell_length_c                   7.65
_cell_volume                     434.593
_citation_journal_id_ASTM        ACCRA9
_cod_data_source_file            Bachmann_ACCRA9_1953_185.cif
_cod_data_source_block           H1O5Pb1V1Zn1
_cod_original_cell_volume        434.5927
_cod_original_sg_symbol_Hall     '-P 2ac 2n (y,z,x)'
_cod_original_formula_sum        'H1 O5 Pb1 V1 Zn1'
_cod_database_code               2310728
Beitraege zur Kristallchemie natuerlicher und kuenstlicher Schwermetallvanadate. III. Das Bleiorthovanadat, seine Darstellung, Kristallstruktur und Isotypiebeziehungen
Bachmann, H.G.; Neues Jahrbuch fuer Mineralogie. Monatshefte (Band=Jahr) (1950-) 1953 (1953) 209–223; doi:

data_1534194
_publ_section_title
;
 Beitraege zur Kristallchemie natuerlicher und kuenstlicher
 Schwermetallvanadate. III. Das Bleiorthovanadat, seine Darstellung,
 Kristallstruktur und Isotypiebeziehungen
;
_journal_name_full
;
Neues Jahrbuch fuer Mineralogie. Monatshefte (Band=Jahr) (1950-)
;
_journal_page_first              209
_journal_page_last               223
_journal_volume                  1953
_journal_year                    1953
_chemical_formula_sum            'O8 Pb3 V2'
_chemical_name_systematic        'Pb3 (V O4)2'
_space_group_IT_number           166
_symmetry_space_group_name_Hall  '-P 3* 2'
_symmetry_space_group_name_H-M   'R -3 m :R'
_cell_angle_alpha                46.03
_cell_angle_beta                 46.03
_cell_angle_gamma                46.03
_cell_formula_units_Z            1
_cell_length_a                   7.65
_cell_length_b                   7.65
_cell_length_c                   7.65
_cell_volume                     211.531
_citation_journal_id_ASTM        NJMMAW
_cod_data_source_file            Bachmann_NJMMAW_1953_1983.cif
_cod_data_source_block           O8Pb3V2
_cod_original_cell_volume        211.5311
_cod_original_sg_symbol_Hall     '-R 3 2" (-y+z,x+z,-x+y+z)'
_cod_database_code               1534194
Beitraege zur Kristallchemie natuerlicher und kuenstlicher Schwermetallvanadate. III. Das Bleiorthovanadat, seine Darstellung, Kristallstruktur und Isotypiebeziehungen
Bachmann, H.G.; Neues Jahrbuch fuer Mineralogie. Monatshefte (Band=Jahr) (1950-) 1953 (1953) 209–223; doi:

data_1534195
_publ_section_title
;
 Beitraege zur Kristallchemie natuerlicher und kuenstlicher
 Schwermetallvanadate. III. Das Bleiorthovanadat, seine Darstellung,
 Kristallstruktur und Isotypiebeziehungen
;
_journal_name_full
;
Neues Jahrbuch fuer Mineralogie. Monatshefte (Band=Jahr) (1950-)
;
_journal_page_first              209
_journal_page_last               223
_journal_volume                  1953
_journal_year                    1953
_chemical_formula_sum            'K2 O8 Pb S2'
_chemical_name_systematic        'K2 Pb (S O4)2'
_space_group_IT_number           166
_symmetry_space_group_name_Hall  '-P 3* 2'
_symmetry_space_group_name_H-M   'R -3 m :R'
_cell_angle_alpha                42.47
_cell_angle_beta                 42.47
_cell_angle_gamma                42.47
_cell_formula_units_Z            1
_cell_length_a                   7.56
_cell_length_b                   7.56
_cell_length_c                   7.56
_cell_volume                     178.356
_citation_journal_id_ASTM        NJMMAW
_cod_data_source_file            Bachmann_NJMMAW_1953_1984.cif
_cod_data_source_block           K2O8Pb1S2
_cod_original_cell_volume        178.3563
_cod_original_sg_symbol_Hall     '-R 3 2" (-y+z,x+z,-x+y+z)'
_cod_original_formula_sum        'K2 O8 Pb1 S2'
_cod_database_code               1534195
An X-ray examination of the spinel-type mixed oxide, Mg Fe Al O4
Bacon, G.E.; Welch, A.J.E.; Acta Crystallographica (1,1948-23,1967) 7 (1954) 361–363; doi:

data_2310729
_publ_section_title
;
 An X-ray examination of the spinel-type mixed oxide, Mg Fe Al O4
;
_journal_name_full               'Acta Crystallographica (1,1948-23,1967)'
_journal_page_first              361
_journal_page_last               363
_journal_volume                  7
_journal_year                    1954
_chemical_formula_sum            'Al Fe Mg O4'
_chemical_name_systematic        'Mg Fe Al O4'
_space_group_IT_number           227
_symmetry_space_group_name_Hall  'F 4d 2 3 -1d'
_symmetry_space_group_name_H-M   'F d -3 m :1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   8.224
_cell_length_b                   8.224
_cell_length_c                   8.224
_cell_volume                     556.223
_citation_journal_id_ASTM        ACCRA9
_cod_data_source_file            Bacon_ACCRA9_1954_208.cif
_cod_data_source_block           Al1Fe1Mg1O4
_cod_original_cell_volume        556.2234
_cod_original_sg_symbol_Hall     '-F 4vw 2vw 3 (x+1/8,y+1/8,z+1/8)'
_cod_original_formula_sum        'Al1 Fe1 Mg1 O4'
_cod_database_code               2310729
Growth and X-ray diffraction study of Tl4 Hg I6 crystals
Badikov, D.V.; Badikov, V.V.; Kuz'micheva, G.M.; Panyutin, V.L.; Shevyrdyaeva, G.S.; Rybakov, V.B.; Chizhikov, V.I.; Shcherbakova, E.S.; Neorganicheskie Materialy 40 (2004) 372–379; doi:

data_1534196
_publ_section_title
;
 Growth and X-ray diffraction study of Tl4 Hg I6 crystals
;
_journal_name_full               'Neorganicheskie Materialy'
_journal_page_first              372
_journal_page_last               379
_journal_volume                  40
_journal_year                    2004
_chemical_formula_sum            'Hg I6 Tl4'
_chemical_name_systematic        'Tl4 (Hg I6)'
_space_group_IT_number           104
_symmetry_space_group_name_Hall  'P 4 -2n'
_symmetry_space_group_name_H-M   'P 4 n c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   9.416
_cell_length_b                   9.416
_cell_length_c                   9.237
_cell_volume                     818.962
_citation_journal_id_ASTM        NMATEI
_cod_data_source_file            Badikov_NMATEI_2004_523.cif
_cod_data_source_block           Hg1I6Tl4
_cod_original_cell_volume        818.9623
_cod_original_formula_sum        'Hg1 I6 Tl4'
_cod_database_code               1534196
Synthese und Kristallstruktur von Tetramethylammonium-Sodalith
Baerlocher, C.; Meier, W.M.; Helvetica Chimica Acta 52 (1969) 1853–1860; doi:

data_1534197
_publ_section_title
;
 Synthese und Kristallstruktur von Tetramethylammonium-Sodalith
;
_journal_name_full               'Helvetica Chimica Acta'
_journal_page_first              1853
_journal_page_last               1860
_journal_volume                  52
_journal_year                    1969
_chemical_formula_sum            'C4 H12 Al N O12 Si5'
_chemical_name_systematic        '((C H3)4 N) (Al Si5 O12)'
_space_group_IT_number           217
_symmetry_space_group_name_Hall  'I -4 2 3'
_symmetry_space_group_name_H-M   'I -4 3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   8.975
_cell_length_b                   8.975
_cell_length_c                   8.975
_cell_volume                     722.942
_citation_journal_id_ASTM        HCACAV
_cod_data_source_file            Baerlocher_HCACAV_1969_1769.cif
_cod_data_source_block           C4H12Al1N1O12Si5
_cod_original_formula_sum        'C4 H12 Al1 N1 O12 Si5'
_cod_database_code               1534197
Die Kristallstruktur von Rhodium(III) - Chlorid
Baernighausen, H.; Handa, B.K.; Journal of the Less-Common Metals 6 (1964) 226–231; doi:

data_1534198
_publ_section_title
;
 Die Kristallstruktur von Rhodium(III) - Chlorid
;
_journal_name_full               'Journal of the Less-Common Metals'
_journal_page_first              226
_journal_page_last               231
_journal_volume                  6
_journal_year                    1964
_chemical_formula_sum            'Cl3 Rh'
_chemical_name_systematic        'Rh Cl3'
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 109.2
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.95
_cell_length_b                   10.3
_cell_length_c                   6.03
_cell_volume                     348.993
_citation_journal_id_ASTM        JCOMAH
_cod_data_source_file            Baernighausen_JCOMAH_1964_960.cif
_cod_data_source_block           Cl3Rh1
_cod_original_cell_volume        348.9929
_cod_original_formula_sum        'Cl3 Rh1'
_cod_database_code               1534198
Darstellung und Kristalldaten von Europium(II)-jodid Eu J2 und Europium(III)-oxidjodid Eu O J
Baernighausen, H.; Journal fuer Praktische Chemie 14 (1961) 313–322; doi:

data_1534199
_publ_section_title
;
 Darstellung und Kristalldaten von Europium(II)-jodid Eu J2 und
 Europium(III)-oxidjodid Eu O J
;
_journal_name_full               'Journal fuer Praktische Chemie'
_journal_page_first              313
_journal_page_last               322
_journal_volume                  14
_journal_year                    1961
_chemical_formula_sum            'Eu I O'
_chemical_name_systematic        'Eu O I'
_space_group_IT_number           129
_symmetry_space_group_name_Hall  'P 4ab 2ab -1ab'
_symmetry_space_group_name_H-M   'P 4/n m m :1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   3.993
_cell_length_b                   3.993
_cell_length_c                   9.186
_cell_volume                     146.462
_citation_journal_id_ASTM        JPCEAO
_cod_data_source_file            Baernighausen_JPCEAO_1961_1994.cif
_cod_data_source_block           Eu1I1O1
_cod_original_sg_symbol_Hall     '-P 4a 2a (x-1/4,y+1/4,z)'
_cod_original_formula_sum        'Eu1 I1 O1'
_cod_database_code               1534199
Crystal structure of Na2 ((U O2)4 (C2 O4)5 (H2 O)2) * 8(H2 O)
Baeva, E.E.; Serezhkina, L.B.; Mikhailov, Yu.N.; Serezhkin, V.N.; Gorbunova, Yu.E.; Zhurnal Neorganicheskoi Khimii 48 (2003) 1801–1807; doi:

data_1534200
_publ_section_title
;
 Crystal structure of Na2 ((U O2)4 (C2 O4)5 (H2 O)2) * 8(H2 O)
;
_journal_name_full               'Zhurnal Neorganicheskoi Khimii'
_journal_page_first              1801
_journal_page_last               1807
_journal_volume                  48
_journal_year                    2003
_chemical_formula_sum            'C10 H20 Na2 O38 U4'
_chemical_name_systematic        'Na2 ((U O2)4 (C2 O4)5 (H2 O)2) (H2 O)8'
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                98.03
_cell_angle_beta                 99
_cell_angle_gamma                103.86
_cell_formula_units_Z            1
_cell_length_a                   5.585
_cell_length_b                   11.359
_cell_length_c                   14.624
_cell_volume                     874.330
_citation_journal_id_ASTM        ZNOKAQ
_cod_data_source_file            Baeva_ZNOKAQ_2003_496.cif
_cod_data_source_block           C10H20Na2O38U4
_cod_original_cell_volume        874.3297
_cod_database_code               1534200
A reinvestigation of the structure of nickel sulphite hexahydrate, Ni S O3 (H2 O)6
Baggio, S.; Becka, L.N.; Acta Crystallographica B (24,1968-38,1982) 25 (1969) 1150–1155; doi:

data_2106829
_publ_section_title
;
 A reinvestigation of the structure of nickel sulphite hexahydrate, Ni S
 O3 (H2 O)6
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              1150
_journal_page_last               1155
_journal_volume                  25
_journal_year                    1969
_chemical_formula_sum            'H12 Ni O9 S'
_chemical_name_systematic        'Ni (S O3) (H2 O)6'
_space_group_IT_number           146
_symmetry_space_group_name_Hall  'P 3*'
_symmetry_space_group_name_H-M   'R 3 :R'
_cell_angle_alpha                95.4
_cell_angle_beta                 95.4
_cell_angle_gamma                95.4
_cell_formula_units_Z            1
_cell_length_a                   5.898
_cell_length_b                   5.898
_cell_length_c                   5.898
_cell_volume                     202.253
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            Baggio_ACBCAR_1969_1111.cif
_cod_data_source_block           H12Ni1O9S1
_cod_original_cell_volume        202.2529
_cod_original_sg_symbol_Hall     'R 3 (-y+z,x+z,-x+y+z)'
_cod_original_formula_sum        'H12 Ni1 O9 S1'
_cod_database_code               2106829