LMucko/crystallography-open-database huggingface dataset:
X-ray investigation on uranyl hydroxides
Bergstroem, G.; Lundgren, G.; Acta Chemica Scandinavica (1-27,1973-42,1988) 10 (1956) 673–680; doi:

data_1527142
_publ_section_title
;
 X-ray investigation on uranyl hydroxides
;
_journal_name_full
'Acta Chemica Scandinavica (1-27,1973-42,1988)'
_journal_page_first              673
_journal_page_last               680
_journal_volume                  10
_journal_year                    1956
_chemical_formula_sum            'H2 O4 U'
_chemical_name_systematic        'U O2 (O H)2'
_space_group_IT_number           69
_symmetry_space_group_name_Hall  '-F 2 2'
_symmetry_space_group_name_H-M   'F m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.295
_cell_length_b                   5.636
_cell_length_c                   9.929
_cell_volume                     352.267
_citation_journal_id_ASTM        ACSAA4
_cod_data_source_file            Bergstroem_ACSAA4_1956_1724.cif
_cod_data_source_block           H2O4U1
_cod_original_cell_volume        352.2672
_cod_original_formula_sum        'H2 O4 U1'
_cod_database_code               1527142
Die Verfeinerung der Kristallstruktur eines lunaren Pigeonits
Berking, B.; Jagodzinski, H.; Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) 137 (1973) 352–359; doi:

data_8103647
_publ_section_title
;
 Die Verfeinerung der Kristallstruktur eines lunaren Pigeonits
;
_journal_name_full
;
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, 
Kristallchemie (-144,1977)
;
_journal_page_first              352
_journal_page_last               359
_journal_volume                  137
_journal_year                    1973
_chemical_formula_sum            'Ca0.08 Fe0.23 Mg0.69 O3 Si'
_chemical_name_systematic        '(Mg0.69 Fe0.23 Ca0.08) (Si O3)'
_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                 108.53
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   9.678
_cell_length_b                   8.883
_cell_length_c                   5.228
_cell_volume                     426.149
_citation_journal_id_ASTM        ZEKGAX
_cod_data_source_file            Berking_ZEKGAX_1973_1321.cif
_cod_data_source_block           Ca0.08Fe0.23Mg0.69O3Si1
_cod_original_cell_volume        426.1489
_cod_original_formula_sum        'Ca0.08 Fe0.23 Mg0.69 O3 Si1'
_cod_database_code               8103647
Structure of uranium borohydride by single-crystal X-Ray diffraction
Bernstein, E.R.; Keiderling, T.A.; Lippard, S.J.; Mayerle, J.J.; Journal of the American Chemical Society 94 (1972) 2552–2553; doi:

data_4123979
_publ_section_title
;
 Structure of uranium borohydride by single-crystal X-Ray diffraction
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              2552
_journal_page_last               2553
_journal_volume                  94
_journal_year                    1972
_chemical_formula_sum            'B4 H16 U'
_chemical_name_systematic        'U (B H4)4'
_space_group_IT_number           92
_symmetry_space_group_name_Hall  'P 4abw 2nw'
_symmetry_space_group_name_H-M   'P 41 21 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.49
_cell_length_b                   7.49
_cell_length_c                   13.24
_cell_volume                     742.765
_citation_journal_id_ASTM        JACSAT
_cod_data_source_file            Bernstein_JACSAT_1972_1358.cif
_cod_data_source_block           H16B4U1
_cod_original_cell_volume        742.7653
_cod_original_formula_sum        'H16 B4 U1'
_cod_database_code               4123979
Neue reduzierte Halogenide der Lanthanoide mit kondensierten Clustern: Tb6 Br7 und Er6 I7
Berroth, K.; Mattausch, H.J.; Simon, A.; Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (33,1978-41,1986) 35 (1980) 626–630; doi:

data_7221329
_publ_section_title
;
 Neue reduzierte Halogenide der Lanthanoide mit kondensierten Clustern:
 Tb6 Br7 und Er6 I7
;
_journal_name_full
;
Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische 
Chemie (33,1978-41,1986)
;
_journal_page_first              626
_journal_page_last               630
_journal_volume                  35
_journal_year                    1980
_chemical_formula_sum            'Br7 Tb6'
_chemical_name_systematic        'Tb6 Br7'
_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                 124.59
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   20.571
_cell_length_b                   3.793
_cell_length_c                   11.8
_cell_volume                     757.957
_citation_journal_id_ASTM        ZNBAD2
_cod_data_source_file            Berroth_ZNBAD2_1980_977.cif
_cod_data_source_block           Br7Tb6
_cod_original_cell_volume        757.9566
_cod_database_code               7221329
Neue reduzierte Halogenide der Lanthanoide mit kondensierten Clustern: Tb6 Br7 und Er6 I7
Berroth, K.; Mattausch, H.J.; Simon, A.; Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (33,1978-41,1986) 35 (1980) 626–630; doi:

data_7221330
_publ_section_title
;
 Neue reduzierte Halogenide der Lanthanoide mit kondensierten Clustern:
 Tb6 Br7 und Er6 I7
;
_journal_name_full
;
Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische 
Chemie (33,1978-41,1986)
;
_journal_page_first              626
_journal_page_last               630
_journal_volume                  35
_journal_year                    1980
_chemical_formula_sum            'Er6 I7'
_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                 123.5
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   21.375
_cell_length_b                   3.869
_cell_length_c                   12.319
_cell_volume                     849.546
_citation_journal_id_ASTM        ZNBAD2
_cod_data_source_file            Berroth_ZNBAD2_1980_978.cif
_cod_data_source_block           Er6I7
_cod_database_code               7221330
Die Kristallstruktur des Thallium(I) hexaiodomercurat(II) Tl4 Hg I6
Berthold, H.J.; Haas, D.; Thiele, G.; Tamme, R.; Jensen, K.P.; Messer, D.; Brodersen, K.; Zeitschrift fuer Anorganische und Allgemeine Chemie 456 (1979) 29–40; doi:

data_1527143
_publ_section_title
;
 Die Kristallstruktur des Thallium(I) hexaiodomercurat(II) Tl4 Hg I6
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              29
_journal_page_last               40
_journal_volume                  456
_journal_year                    1979
_chemical_formula_sum            'Hg I6 Tl4'
_chemical_name_systematic        'Tl4 Hg I6'
_space_group_IT_number           128
_symmetry_space_group_name_Hall  '-P 4 2n'
_symmetry_space_group_name_H-M   'P 4/m n c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   9.446
_cell_length_b                   9.446
_cell_length_c                   9.26
_cell_volume                     826.241
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Berthold_ZAACAB_1979_841.cif
_cod_data_source_block           Hg1I6Tl4
_cod_original_cell_volume        826.2413
_cod_original_formula_sum        'Hg1 I6 Tl4'
_cod_database_code               1527143
Structure de La2 Fe2 S5 et de La2 Fe1.87 S5
Besrest, F.; Collin, G.; Journal of Solid State Chemistry 21 (1977) 161–170; doi:

data_1527144
_publ_section_title
;
 Structure de La2 Fe2 S5 et de La2 Fe1.87 S5
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              161
_journal_page_last               170
_journal_volume                  21
_journal_year                    1977
_chemical_formula_sum            'Fe2 La2 S5'
_chemical_name_systematic        'La2 Fe2 S5'
_space_group_IT_number           36
_symmetry_space_group_name_Hall  'C 2c -2'
_symmetry_space_group_name_H-M   'C m c 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   3.997
_cell_length_b                   16.485
_cell_length_c                   11.394
_cell_volume                     750.757
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Besrest_JSSCBI_1977_1153.cif
_cod_data_source_block           Fe2La2S5
_cod_original_cell_volume        750.7569
_cod_database_code               1527144
Structure de La2 Fe2 S5 et de La2 Fe1.87 S5
Besrest, F.; Collin, G.; Journal of Solid State Chemistry 21 (1977) 161–170; doi:

data_1527145
_publ_section_title
;
 Structure de La2 Fe2 S5 et de La2 Fe1.87 S5
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              161
_journal_page_last               170
_journal_volume                  21
_journal_year                    1977
_chemical_formula_sum            'Fe1.87 La2 S5'
_chemical_name_systematic        'La2 Fe1.87 S5'
_space_group_IT_number           36
_symmetry_space_group_name_Hall  'C 2c -2'
_symmetry_space_group_name_H-M   'C m c 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            12
_cell_length_a                   3.9996
_cell_length_b                   49.508
_cell_length_c                   11.308
_cell_volume                     2239.122
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Besrest_JSSCBI_1977_1154.cif
_cod_data_source_block           Fe1.87La2S5
_cod_database_code               1527145
Crystal and molecular structure of hexaquomagnesium trihydrogenhexaoxoiodate(VII)
Bigoli, F.; Manotti Lanfredi, A.M.; Tiripicchio Camellini, M.; Tiripicchio, A.; Acta Crystallographica B (24,1968-38,1982) 26 (1970) 1075–1079; doi:

data_2106255
_publ_section_title
;
 Crystal and molecular structure of hexaquomagnesium
 trihydrogenhexaoxoiodate(VII)
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              1075
_journal_page_last               1079
_journal_volume                  26
_journal_year                    1970
_chemical_formula_sum            'H15 I Mg O12'
_chemical_name_systematic        '(Mg (H2 O)6) H3 I O6'
_space_group_IT_number           7
_symmetry_space_group_name_Hall  'P -2yc'
_symmetry_space_group_name_H-M   'P 1 c 1'
_cell_angle_alpha                90
_cell_angle_beta                 116.9
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.18
_cell_length_b                   9.886
_cell_length_c                   10.625
_cell_volume                     485.228
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            Bigoli_ACBCAR_1970_1778.cif
_cod_data_source_block           H15I1Mg1O12
_cod_original_cell_volume        485.2276
_cod_original_formula_sum        'H15 I1 Mg1 O12'
_cod_database_code               2106255
On the preparation, properties, and structure of cuprous ammonium thiomolybdate
Binnie, W.P.; Redman, M.J.; Mallio, W.J.; Inorganic Chemistry 9 (1970) 1449–1452; doi:

data_4343737
_publ_section_title
;
 On the preparation, properties, and structure of cuprous ammonium
 thiomolybdate
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              1449
_journal_page_last               1452
_journal_volume                  9
_journal_year                    1970
_chemical_formula_sum            'Cu H4 Mo N S4'
_chemical_name_systematic        'Cu N H4 Mo S4'
_space_group_IT_number           82
_symmetry_space_group_name_Hall  'I -4'
_symmetry_space_group_name_H-M   'I -4'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   8
_cell_length_b                   8
_cell_length_c                   5.409
_cell_volume                     346.176
_citation_journal_id_ASTM        INOCAJ
_cod_data_source_file            Binnie_INOCAJ_1970_1818.cif
_cod_data_source_block           H4Cu1Mo1N1S4
_cod_original_formula_sum        'H4 Cu1 Mo1 N1 S4'
_cod_database_code               4343737
A new compound containing the tetrasulfatodimolybdenum anion with a bond order of 3.5
Bino, A.; Cotton, F.A.; Inorganic Chemistry 18 (1979) 1159–1161; doi:

data_4343738
_publ_section_title
;
 A new compound containing the tetrasulfatodimolybdenum anion with a bond
 order of 3.5
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              1159
_journal_page_last               1161
_journal_volume                  18
_journal_year                    1979
_chemical_formula_sum            'Cl H8 K4 Mo2 O20 S4'
_chemical_name_systematic        'K4 (Mo2 (S O4)4) Cl (H2 O)4'
_space_group_IT_number           128
_symmetry_space_group_name_Hall  '-P 4 2n'
_symmetry_space_group_name_H-M   'P 4/m n c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   11.93
_cell_length_b                   11.93
_cell_length_c                   7.93
_cell_volume                     1128.636
_citation_journal_id_ASTM        INOCAJ
_cod_data_source_file            Bino_INOCAJ_1979_871.cif
_cod_data_source_block           H8Cl1K4Mo2O20S4
_cod_original_formula_sum        'H8 Cl1 K4 Mo2 O20 S4'
_cod_database_code               4343738
Preparation of Tetraammonium Octakis(isothiocyanato) dimolybdenum(II) and Structural Characterization of Two Crystalline Hydrates
Bino, Avi; Cotton, F. Albert; Fanwick, Phillip E.; Inorganic Chemistry 18 (1979) 3558–3562; doi:10.1021/ic50202a052

data_4343739
_publ_section_title
;
 Preparation of Tetraammonium Octakis(isothiocyanato) dimolybdenum(II) and
 Structural Characterization of Two Crystalline Hydrates
;
_journal_issue                   12
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              3558
_journal_page_last               3562
_journal_paper_doi               10.1021/ic50202a052
_journal_volume                  18
_journal_year                    1979
_chemical_formula_sum            'C8 H24 Mo2 N12 O4 S8'
_chemical_name_systematic        '(N H4)4 (Mo2 (N C S)8) (H2 O)4'
_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            4
_cell_length_a                   13.859
_cell_length_b                   13.012
_cell_length_c                   16.937
_cell_volume                     3054.305
_citation_journal_id_ASTM        INOCAJ
_cod_data_source_file            Bino_INOCAJ_1979_898.cif
_cod_data_source_block           C8H24Mo2N12O4S8
_cod_depositor_comments
;
 Correcting the coordinates for atom 'S3' and marking attached
 hydrogen atoms after consulting the orginal publication.

 Antanas Vaitkus,
 2016-12-12
;
_cod_database_code               4343739
Preparation of Tetraammonium Octakis(isothiocyanato) dimolybdenum(II) and Structural Characterization of Two Crystalline Hydrates
Bino, Avi; Cotton, F. Albert; Fanwick, Phillip E.; Inorganic Chemistry 18 (1979) 3558–3562; doi:10.1021/ic50202a052

data_4343740
_publ_section_title
;
 Preparation of Tetraammonium Octakis(isothiocyanato) dimolybdenum(II) and
 Structural Characterization of Two Crystalline Hydrates
;
_journal_issue                   12
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              3558
_journal_page_last               3562
_journal_paper_doi               10.1021/ic50202a052
_journal_volume                  18
_journal_year                    1979
_chemical_formula_sum            'C8 H28 Mo2 N12 O6 S8'
_chemical_name_systematic        '(N H4)4 (Mo2 (N C S)8) (H2 O)6'
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                105.79
_cell_angle_beta                 93.37
_cell_angle_gamma                105.71
_cell_formula_units_Z            2
_cell_length_a                   10.706
_cell_length_b                   11.708
_cell_length_c                   14.346
_cell_volume                     1648.600
_citation_journal_id_ASTM        INOCAJ
_cod_data_source_file            Bino_INOCAJ_1979_899.cif
_cod_data_source_block           C8H28Mo2N12O6S8
_cod_original_cell_volume        1648.6
_cod_database_code               4343740
Preparation and crystal structure of (I Cl2)(+) (Sb F6)(-) and iodine-127 Moessbauer spectra of some compounds containing the (I Cl2)(+) cation
Birchall, T.; Myers, R.D.; Inorganic Chemistry 20 (1981) 2207–2211; doi:

data_4343741
_publ_section_title
;
 Preparation and crystal structure of (I Cl2)(+) (Sb F6)(-) and iodine-127
 Moessbauer spectra of some compounds containing the (I Cl2)(+) cation
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              2207
_journal_page_last               2211
_journal_volume                  20
_journal_year                    1981
_chemical_formula_sum            'Cl2 F6 I Sb'
_chemical_name_systematic        'I Cl2 Sb F6'
_space_group_IT_number           64
_symmetry_space_group_name_Hall  '-C 2ac 2'
_symmetry_space_group_name_H-M   'C m c a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   10.751
_cell_length_b                   12.087
_cell_length_c                   12.982
_cell_volume                     1686.976
_citation_journal_id_ASTM        INOCAJ
_cod_data_source_file            Birchall_INOCAJ_1981_1508.cif
_cod_data_source_block           Cl2F6I1Sb1
_cod_original_formula_sum        'Cl2 F6 I1 Sb1'
_cod_database_code               4343741
Neutron Diffraction Study of K Mn Cl3 (H2 O)2
Birkelund, F.; Jensen, S.J.; Acta Chemica Scandinavica (1-27,1973-42,1988) 26 (1972) 1358–1364; doi:

data_1527146
_publ_section_title
;
 Neutron Diffraction Study of K Mn Cl3 (H2 O)2
;
_journal_name_full
'Acta Chemica Scandinavica (1-27,1973-42,1988)'
_journal_page_first              1358
_journal_page_last               1364
_journal_volume                  26
_journal_year                    1972
_chemical_formula_sum            'Cl3 H4 K Mn O2'
_chemical_name_systematic        'K Mn Cl3 (H2 O)2'
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                96.8
_cell_angle_beta                 114.1
_cell_angle_gamma                112.6
_cell_formula_units_Z            2
_cell_length_a                   6.49
_cell_length_b                   6.91
_cell_length_c                   9.91
_cell_volume                     353.981
_citation_journal_id_ASTM        ACSAA4
_cod_data_source_file            Birkelund_ACSAA4_1972_967.cif
_cod_data_source_block           H4Cl3K1Mn1O2
_cod_original_cell_volume        353.9805
_cod_original_formula_sum        'H4 Cl3 K1 Mn1 O2'
_cod_database_code               1527146
Die Kristallstruktur von monoklinem Siliziumphosphat Si P2 O7 (AIII): Eine Phase mit (Si O6)-Oktaedern
Bissert, G.; Liebau, F.; Acta Crystallographica B (24,1968-38,1982) 26 (1970) 233–239; doi:

data_2106256
_publ_section_title
;
 Die Kristallstruktur von monoklinem Siliziumphosphat Si P2 O7 (AIII):
 Eine Phase mit (Si O6)-Oktaedern
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              233
_journal_page_last               239
_journal_volume                  26
_journal_year                    1970
_chemical_formula_sum            'O7 P2 Si'
_chemical_name_systematic        'Si P2 O7'
_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                 90.1
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   4.73
_cell_length_b                   6.33
_cell_length_c                   14.71
_cell_volume                     440.430
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            Bissert_ACBCAR_1970_1800.cif
_cod_data_source_block           O7P2Si1
_cod_original_cell_volume        440.43
_cod_original_formula_sum        'O7 P2 Si1'
_cod_database_code               2106256
Palladium and Platinum Phosphochalcogenides - Synthesis and Properties
Bither, T.A.; Young, H.S.; Donohue, P.C.; Journal of Solid State Chemistry 3 (1971) 300–307; doi:

data_1527147
_publ_section_title
;
 Palladium and Platinum Phosphochalcogenides - Synthesis and Properties
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              300
_journal_page_last               307
_journal_volume                  3
_journal_year                    1971
_chemical_formula_sum            'P2 Pd3 S8'
_chemical_name_systematic        'Pd3 (P S4)2'
_space_group_IT_number           164
_symmetry_space_group_name_Hall  '-P 3 2"'
_symmetry_space_group_name_H-M   'P -3 m 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   6.836
_cell_length_b                   6.836
_cell_length_c                   7.239
_cell_volume                     292.963
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Bither_JSSCBI_1971_1975.cif
_cod_data_source_block           P2Pd3S8
_cod_original_cell_volume        292.9633
_cod_database_code               1527147
Crystal structure of the addition compound Sb I3:3 S8
Bjorvatten, T.; Lindheim, A.; Hassel, O.; Acta Chemica Scandinavica (1-27,1973-42,1988) 17 (1963) 689–702; doi:

data_1527148
_publ_section_title
;
 Crystal structure of the addition compound Sb I3:3 S8
;
_journal_name_full
'Acta Chemica Scandinavica (1-27,1973-42,1988)'
_journal_page_first              689
_journal_page_last               702
_journal_volume                  17
_journal_year                    1963
_chemical_formula_sum            'I3 S24 Sb'
_chemical_name_systematic        '(Sb I3) (S8)3'
_space_group_IT_number           160
_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                   24.817
_cell_length_b                   24.817
_cell_length_c                   4.4279
_cell_volume                     2361.712
_citation_journal_id_ASTM        ACSAA4
_cod_data_source_file            Bjorvatten_ACSAA4_1963_991.cif
_cod_data_source_block           I3S24Sb1
_cod_original_formula_sum        'I3 S24 Sb1'
_cod_database_code               1527148