LMucko/crystallography-open-database huggingface dataset:
Sur l'existence d'une variete allotropique U3 Si cubique dans le systeme uranium-silicium.
Blum, P.L.; Silvestre, G.; Vaugoyeau, H.; Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences (1884 - 1965) 260 (1965) 5538–5541; doi:

data_1534279
_publ_section_title
;
 Sur l'existence d'une variete allotropique U3 Si cubique dans le systeme
 uranium-silicium.
;
_journal_name_full
;
Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences (1884 - 
1965)
;
_journal_page_first              5538
_journal_page_last               5541
_journal_volume                  260
_journal_year                    1965
_chemical_formula_sum            'Si U3'
_chemical_name_systematic        'U3 Si'
_space_group_IT_number           221
_symmetry_space_group_name_Hall  '-P 4 2 3'
_symmetry_space_group_name_H-M   'P m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   4.346
_cell_length_b                   4.346
_cell_length_c                   4.346
_cell_volume                     82.086
_citation_journal_id_ASTM        COREAF
_cod_data_source_file            Blum_COREAF_1965_1630.cif
_cod_data_source_block           Si1U3
_cod_original_cell_volume        82.08602
_cod_original_formula_sum        'Si1 U3'
_cod_database_code               1534279
Ternaere Phasen im Dreistoffsystem Lithium-Gallium-Germanium
Bockelmann, W.; Jacobs, H.; Schuster, H.U.; Zeitschrift fuer Anorganische und Allgemeine Chemie 410 (1974) 233–2406; doi:

data_1534280
_publ_section_title
;
 Ternaere Phasen im Dreistoffsystem Lithium-Gallium-Germanium
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              233
_journal_page_last               2406
_journal_volume                  410
_journal_year                    1974
_chemical_formula_sum            'Ga Ge Li'
_chemical_name_systematic        'Li Ga Ge'
_space_group_IT_number           186
_symmetry_space_group_name_Hall  'P 6c -2c'
_symmetry_space_group_name_H-M   'P 63 m c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   4.175
_cell_length_b                   4.175
_cell_length_c                   6.783
_cell_volume                     102.392
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Bockelmann_ZAACAB_1974_662.cif
_cod_data_source_block           Ga1Ge1Li1
_cod_original_cell_volume        102.3919
_cod_original_formula_sum        'Ga1 Ge1 Li1'
_cod_database_code               1534280
Ueber die Kristallstrukturen der Hexafluorozirkonate
Bode, H.; Acta Crystallographica (1,1948-23,1967) 7 (1954) 637–637; doi:

data_2310733
_publ_section_title
;
 Ueber die Kristallstrukturen der Hexafluorozirkonate
;
_journal_name_full               'Acta Crystallographica (1,1948-23,1967)'
_journal_page_first              637
_journal_page_last               637
_journal_volume                  7
_journal_year                    1954
_chemical_formula_sum            'K2 Zr'
_chemical_name_systematic        'K2 Zr F6'
_space_group_IT_number           20
_symmetry_space_group_name_Hall  'C 2c 2'
_symmetry_space_group_name_H-M   'C 2 2 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.6
_cell_length_b                   11.42
_cell_length_c                   6.96
_cell_volume                     524.589
_citation_journal_id_ASTM        ACCRA9
_cod_data_source_file            Bode_ACCRA9_1954_1997.cif
_cod_data_source_block           K2Zr1
_cod_original_cell_volume        524.5891
_cod_original_formula_sum        'K2 Zr1'
_cod_database_code               2310733
Ueber die Kristallstrukturen der Hexafluorozirkonate
Bode, H.; Acta Crystallographica (1,1948-23,1967) 7 (1954) 637–637; doi:

data_2310734
_publ_section_title
;
 Ueber die Kristallstrukturen der Hexafluorozirkonate
;
_journal_name_full               'Acta Crystallographica (1,1948-23,1967)'
_journal_page_first              637
_journal_page_last               637
_journal_volume                  7
_journal_year                    1954
_chemical_formula_sum            Zr
_chemical_name_systematic        '(N H4)2 (Zr F6)'
_space_group_IT_number           55
_symmetry_space_group_name_Hall  '-P 2 2ab'
_symmetry_space_group_name_H-M   'P b a m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   13.5
_cell_length_b                   11.68
_cell_length_c                   7.74
_cell_volume                     1220.443
_citation_journal_id_ASTM        ACCRA9
_cod_data_source_file            Bode_ACCRA9_1954_1998.cif
_cod_data_source_block           Zr1
_cod_original_formula_sum        Zr1
_cod_database_code               2310734
Die Kristallstruktur des Kalium-, Ammonium- und Caesiumhexafluorophosphats
Bode, H.; Clausen, H.; Zeitschrift fuer Anorganische und Allgemeine Chemie 265 (1951) 228–243; doi:

data_1534281
_publ_section_title
;
 Die Kristallstruktur des Kalium-, Ammonium- und
 Caesiumhexafluorophosphats
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              228
_journal_page_last               243
_journal_volume                  265
_journal_year                    1951
_chemical_formula_sum            'F6 K P'
_chemical_name_systematic        'K (P F6)'
_space_group_IT_number           205
_symmetry_space_group_name_Hall  '-P 2ac 2ab 3'
_symmetry_space_group_name_H-M   'P a -3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.71
_cell_length_b                   7.71
_cell_length_c                   7.71
_cell_volume                     458.314
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Bode_ZAACAB_1951_814.cif
_cod_data_source_block           F6K1P1
_cod_original_formula_sum        'F6 K1 P1'
_cod_database_code               1534281
Die Kristallstruktur des wasserfreien Natriumhexafluorophosphats
Bode, H.; Teufer, G.; Zeitschrift fuer Anorganische und Allgemeine Chemie 268 (1952) 20–24; doi:

data_1534282
_publ_section_title
;
 Die Kristallstruktur des wasserfreien Natriumhexafluorophosphats
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              20
_journal_page_last               24
_journal_volume                  268
_journal_year                    1952
_chemical_formula_sum            'F6 Na P'
_chemical_name_systematic        'Na (P F6)'
_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                   7.61
_cell_length_b                   7.61
_cell_length_c                   7.61
_cell_volume                     440.711
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Bode_ZAACAB_1952_815.cif
_cod_data_source_block           F6Na1P1
_cod_original_cell_volume        440.7111
_cod_original_formula_sum        'F6 Na1 P1'
_cod_database_code               1534282
Ueber die Struktur von Hexafluoromanganaten(IV)
Bode, H.; Wendt, W.; Zeitschrift fuer Anorganische und Allgemeine Chemie 269 (1952) 165–172; doi:

data_1534283
_publ_section_title
;
 Ueber die Struktur von Hexafluoromanganaten(IV)
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              165
_journal_page_last               172
_journal_volume                  269
_journal_year                    1952
_chemical_formula_sum            'F6 Mn Rb2'
_chemical_name_systematic        'Rb2 (Mn F6)'
_space_group_IT_number           186
_symmetry_space_group_name_Hall  'P 6c -2c'
_symmetry_space_group_name_H-M   'P 63 m c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   5.855
_cell_length_b                   5.855
_cell_length_c                   9.503
_cell_volume                     282.127
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Bode_ZAACAB_1952_816.cif
_cod_data_source_block           F6Mn1Rb2
_cod_original_cell_volume        282.1273
_cod_original_formula_sum        'F6 Mn1 Rb2'
_cod_database_code               1534283
Ueber die Struktur von Hexafluoromanganaten(IV)
Bode, H.; Wendt, W.; Zeitschrift fuer Anorganische und Allgemeine Chemie 269 (1952) 165–172; doi:

data_1534284
_publ_section_title
;
 Ueber die Struktur von Hexafluoromanganaten(IV)
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              165
_journal_page_last               172
_journal_volume                  269
_journal_year                    1952
_chemical_formula_sum            'F6 Mn Rb2'
_chemical_name_systematic        'Rb2 (Mn F6)'
_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                   8.43
_cell_length_b                   8.43
_cell_length_c                   8.43
_cell_volume                     599.077
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Bode_ZAACAB_1952_817.cif
_cod_data_source_block           F6Mn1Rb2
_cod_original_cell_volume        599.0771
_cod_original_formula_sum        'F6 Mn1 Rb2'
_cod_database_code               1534284
Zur Kristallstruktur der Hexafluorogermanate
Bode, H.; Brockmann, R.; Zeitschrift fuer Anorganische und Allgemeine Chemie 269 (1952) 173–178; doi:

data_1534285
_publ_section_title
;
 Zur Kristallstruktur der Hexafluorogermanate
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              173
_journal_page_last               178
_journal_volume                  269
_journal_year                    1952
_chemical_formula_sum            'F6 Ge Rb2'
_chemical_name_systematic        'Rb2 (Ge F6)'
_space_group_IT_number           186
_symmetry_space_group_name_Hall  'P 6c -2c'
_symmetry_space_group_name_H-M   'P 63 m c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   5.94
_cell_length_b                   5.94
_cell_length_c                   9.63
_cell_volume                     294.259
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Bode_ZAACAB_1952_886.cif
_cod_data_source_block           F6Ge1Rb2
_cod_original_formula_sum        'F6 Ge1 Rb2'
_cod_database_code               1534285
Ueber Strukturen von Hexafluorozirkonaten und Hexafluorohafnaten
Bode, H.; Teufer, G.; Zeitschrift fuer Anorganische und Allgemeine Chemie 283 (1956) 18–24; doi:

data_1534286
_publ_section_title
;
 Ueber Strukturen von Hexafluorozirkonaten und Hexafluorohafnaten
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              18
_journal_page_last               24
_journal_volume                  283
_journal_year                    1956
_chemical_formula_sum            'F6 Rb2 Zr'
_chemical_name_systematic        'Rb2 Zr F6'
_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                   6.16
_cell_length_b                   6.16
_cell_length_c                   4.82
_cell_volume                     158.394
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Bode_ZAACAB_1956_835.cif
_cod_data_source_block           F6Rb2Zr1
_cod_original_cell_volume        158.3941
_cod_original_formula_sum        'F6 Rb2 Zr1'
_cod_database_code               1534286
Ueber Strukturen von Hexafluorozirkonaten und Hexafluorohafnaten
Bode, H.; Teufer, G.; Zeitschrift fuer Anorganische und Allgemeine Chemie 283 (1956) 18–24; doi:

data_1534287
_publ_section_title
;
 Ueber Strukturen von Hexafluorozirkonaten und Hexafluorohafnaten
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              18
_journal_page_last               24
_journal_volume                  283
_journal_year                    1956
_chemical_formula_sum            'Cs2 F6 Zr'
_chemical_name_systematic        'Cs2 Zr F6'
_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                   6.41
_cell_length_b                   6.41
_cell_length_c                   5.01
_cell_volume                     178.273
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Bode_ZAACAB_1956_836.cif
_cod_data_source_block           Cs2F6Zr1
_cod_original_cell_volume        178.2725
_cod_original_formula_sum        'Cs2 F6 Zr1'
_cod_database_code               1534287
Ueber Strukturen von Hexafluorozirkonaten und Hexafluorohafnaten
Bode, H.; Teufer, G.; Zeitschrift fuer Anorganische und Allgemeine Chemie 283 (1956) 18–24; doi:

data_1534288
_publ_section_title
;
 Ueber Strukturen von Hexafluorozirkonaten und Hexafluorohafnaten
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              18
_journal_page_last               24
_journal_volume                  283
_journal_year                    1956
_chemical_formula_sum            'F6 Hf Rb2'
_chemical_name_systematic        'Rb2 (Hf F6)'
_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                   6.134
_cell_length_b                   6.134
_cell_length_c                   4.815
_cell_volume                     156.897
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Bode_ZAACAB_1956_837.cif
_cod_data_source_block           F6Hf1Rb2
_cod_original_cell_volume        156.8969
_cod_original_formula_sum        'F6 Hf1 Rb2'
_cod_database_code               1534288
Ueber Strukturen von Hexafluorozirkonaten und Hexafluorohafnaten
Bode, H.; Teufer, G.; Zeitschrift fuer Anorganische und Allgemeine Chemie 283 (1956) 18–24; doi:

data_1534289
_publ_section_title
;
 Ueber Strukturen von Hexafluorozirkonaten und Hexafluorohafnaten
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              18
_journal_page_last               24
_journal_volume                  283
_journal_year                    1956
_chemical_formula_sum            'Cs2 F6 Hf'
_chemical_name_systematic        'Cs2 Hf F6'
_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                   6.39
_cell_length_b                   6.39
_cell_length_c                   5
_cell_volume                     176.808
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Bode_ZAACAB_1956_839.cif
_cod_data_source_block           Cs2F6Hf1
_cod_original_cell_volume        176.8082
_cod_original_formula_sum        'Cs2 F6 Hf1'
_cod_database_code               1534289
The Square Antiprismatic Configuration for the Octacyanotungstate(IV) Ion. The Crystal Structure of H4 W (C N)8 (H Cl)4 (H2 O)12
Bok, L.D.C.; Leipoldt, J.G.; Basson, S.S.; Zeitschrift fuer Anorganische und Allgemeine Chemie 392 (1972) 303–315; doi:

data_1534290
_publ_section_title
;
 The Square Antiprismatic Configuration for the Octacyanotungstate(IV)
 Ion. The Crystal Structure of H4 W (C N)8 (H Cl)4 (H2 O)12
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              303
_journal_page_last               315
_journal_volume                  392
_journal_year                    1972
_chemical_formula_sum            'C8 H32 Cl4 N8 O12 W'
_chemical_name_systematic        'H4 W (C N)8 (H Cl)4 (H2 O)12'
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 111.23
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   18.01
_cell_length_b                   19.42
_cell_length_c                   12.51
_cell_volume                     4078.484
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Bok_ZAACAB_1972_614.cif
_cod_data_source_block           C8H32Cl4N8O12W1
_cod_original_formula_sum        'C8 H32 Cl4 N8 O12 W1'
_cod_database_code               1534290
Zum Dreistoff: Vanadin-Arsen-Kohlenstoff
Boller, H.; Nowotny, H.; Monatshefte fuer Chemie (-108,1977) 98 (1967) 2127–2132; doi:

data_1534291
_publ_section_title
;
 Zum Dreistoff: Vanadin-Arsen-Kohlenstoff
;
_journal_name_full               'Monatshefte fuer Chemie (-108,1977)'
_journal_page_first              2127
_journal_page_last               2132
_journal_volume                  98
_journal_year                    1967
_chemical_formula_sum            'C As V3'
_chemical_name_systematic        'V3 As C'
_space_group_IT_number           63
_symmetry_space_group_name_Hall  '-C 2c 2'
_symmetry_space_group_name_H-M   'C m c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   3.128
_cell_length_b                   10.14
_cell_length_c                   7.699
_cell_volume                     244.196
_citation_journal_id_ASTM        MOCHAP
_cod_data_source_file            Boller_MOCHAP_1967_958.cif
_cod_data_source_block           C1As1V3
_cod_original_cell_volume        244.1963
_cod_original_formula_sum        'C1 As1 V3'
_cod_database_code               1534291
Komplexcarbide und -nitride mit aufgefuelltem U3 Si - Typ
Boller, H.; Monatshefte fuer Chemie (-108,1977) 99 (1968) 2444–2449; doi:

data_1534292
_publ_section_title
;
 Komplexcarbide und -nitride mit aufgefuelltem U3 Si - Typ
;
_journal_name_full               'Monatshefte fuer Chemie (-108,1977)'
_journal_page_first              2444
_journal_page_last               2449
_journal_volume                  99
_journal_year                    1968
_chemical_formula_sum            'As Cr3 N'
_chemical_name_systematic        'Cr3 As N'
_space_group_IT_number           140
_symmetry_space_group_name_Hall  '-I 4 2c'
_symmetry_space_group_name_H-M   'I 4/m c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.36
_cell_length_b                   5.36
_cell_length_c                   8.066
_cell_volume                     231.733
_citation_journal_id_ASTM        MOCHAP
_cod_data_source_file            Boller_MOCHAP_1968_957.cif
_cod_data_source_block           As1Cr3N1
_cod_original_formula_sum        'As1 Cr3 N1'
_cod_database_code               1534292
Komplexcarbide und -nitride mit aufgefuelltem U3 Si - Typ
Boller, H.; Monatshefte fuer Chemie (-108,1977) 99 (1968) 2444–2449; doi:

data_1534293
_publ_section_title
;
 Komplexcarbide und -nitride mit aufgefuelltem U3 Si - Typ
;
_journal_name_full               'Monatshefte fuer Chemie (-108,1977)'
_journal_page_first              2444
_journal_page_last               2449
_journal_volume                  99
_journal_year                    1968
_chemical_formula_sum            'C Ge Mn3'
_chemical_name_systematic        'Mn3 Ge C'
_space_group_IT_number           140
_symmetry_space_group_name_Hall  '-I 4 2c'
_symmetry_space_group_name_H-M   'I 4/m c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.38
_cell_length_b                   5.38
_cell_length_c                   8.068
_cell_volume                     233.523
_citation_journal_id_ASTM        MOCHAP
_cod_data_source_file            Boller_MOCHAP_1968_968.cif
_cod_data_source_block           C1Ge1Mn3
_cod_original_cell_volume        233.5234
_cod_original_formula_sum        'C1 Ge1 Mn3'
_cod_database_code               1534293
Synthesis and crystal structure of a series of incommensurately modulated composite oxohalide compounds.
Zimmermann, Iwan; Corgnet, Alexis; Johnsson, Mats; Lidin, Sven; Dalton transactions (Cambridge, England : 2003)  (2014) –; doi:10.1039/c4dt02084g

data_7036760
_publ_section_title
;
 Synthesis and crystal structure of a series of incommensurately modulated
 composite oxohalide compounds.
;
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_paper_doi               10.1039/c4dt02084g
_journal_year                    2014
_chemical_formula_sum            'Br O2 Sb Zn0.902'
_chemical_formula_weight         292.6
_chemical_name_systematic        ' ?'
_space_group_IT_number           4
_space_group_ssg_name            P21(\a0\g)0
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_cell_angle_alpha                90
_cell_angle_beta                 90.331(6)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   4.1307(13)
_cell_length_b                   17.9042(2)
_cell_length_c                   10.3021(10)
_cell_measurement_temperature    293
_cell_modulation_dimension       1
_cell_subsystems_number          2
_cell_volume                     761.9(3)
_diffrn_ambient_temperature      293
_diffrn_radiation_source         'X-ray tube'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_exptl_absorpt_coefficient_mu    23.069
_exptl_crystal_density_diffrn    5.1005
_exptl_crystal_F_000             1028
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_gt    2.02
_refine_ls_goodness_of_fit_ref   1.40
_refine_ls_number_constraints    9
_refine_ls_number_parameters     361
_refine_ls_number_reflns         26084
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.2549
_refine_ls_R_factor_gt           0.0982
_refine_ls_shift/su_max          0.0446
_refine_ls_shift/su_mean         0.0046
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     w=1/(\s^2^(F)+0.0001F^2^)
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_gt          0.1017
_refine_ls_wR_factor_ref         0.1444
_reflns_number_gt                6011
_reflns_number_total             26084
_reflns_threshold_expression     I>3\s(I)
_cod_data_source_file            c4dt02084g4.cif
_cod_data_source_block           I
_cod_original_formula_sum        'Br1 O2 Sb1 Zn0.902'
_cod_database_code               7036760