LMucko/crystallography-open-database huggingface dataset:
Ca2 (B N2) H: The first nitrido-borate hydride - synthesis, crystal structure and vibrational spectra
Somer, M.; Carillo-Cabrera, W.; Yaren, O.; Prots', Yu.M.; Reckeweg, O.; Zeitschrift fuer Anorganische und Allgemeine Chemie 630 (2004) 1068–1073; doi:

data_1535037
_publ_section_title
;
 Ca2 (B N2) H: The first nitrido-borate hydride - synthesis, crystal
 structure and vibrational spectra
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              1068
_journal_page_last               1073
_journal_volume                  630
_journal_year                    2004
_chemical_formula_sum            'B Ca2 H N2'
_chemical_name_systematic        'Ca2 (B N2) H'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.2015
_cell_length_b                   3.6676
_cell_length_c                   9.9874
_cell_volume                     337.049
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Somer_ZAACAB_2004_1568.cif
_cod_data_source_block           H1B1Ca2N2
_cod_original_formula_sum        'H1 B1 Ca2 N2'
_cod_database_code               1535037
Structure and stereochemistry in 'f-block' complexes of high coordination number. VIII The (M(unidentate)9) system. Crystal structures of (M (O H2)9) (C F3 S O3)3, M= La, Gd, Lu, Y
Harrowfield, J.M.B.; Patrick, J.M.; Kepert, D.L.; White, A.H.; Australian Journal of Chemistry 36 (1983) 483–492; doi:

data_1535038
_publ_section_title
;
 Structure and stereochemistry in 'f-block' complexes of high coordination
 number. VIII The (M(unidentate)9) system. Crystal structures of (M (O
 H2)9) (C F3 S O3)3, M= La, Gd, Lu, Y
;
_journal_name_full               'Australian Journal of Chemistry'
_journal_page_first              483
_journal_page_last               492
_journal_volume                  36
_journal_year                    1983
_chemical_formula_sum            'C3 H18 F9 La O18 S3'
_chemical_name_systematic        '(La (H2 O)9) ((C F3) S O3)3'
_space_group_IT_number           176
_symmetry_space_group_name_Hall  '-P 6c'
_symmetry_space_group_name_H-M   'P 63/m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   13.99
_cell_length_b                   13.99
_cell_length_c                   7.444
_cell_volume                     1261.747
_citation_journal_id_ASTM        AJCHAS
_cod_data_source_file            Harrowfield_AJCHAS_1983_269.cif
_cod_data_source_block           C3H18F9La1O18S3
_cod_original_formula_sum        'C3 H18 F9 La1 O18 S3'
_cod_database_code               1535038
Formation and structure of iodotrinitrosyliron, [Fe (N O)3 I]
Beck, W.; Enzmann, A.; Mayer, P.; Zeitschrift fuer Anorganische und Allgemeine Chemie 631 (2005) 105–109; doi:

data_1535039
_publ_section_title
;
 Formation and structure of iodotrinitrosyliron, [Fe (N O)3 I]
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              105
_journal_page_last               109
_journal_volume                  631
_journal_year                    2005
_chemical_formula_sum            'Fe1.02 I1.02 N3 O3'
_chemical_name_systematic        'Fe (N O)3 I'
_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                   7.5034
_cell_length_b                   7.5034
_cell_length_c                   6.5152
_cell_volume                     317.669
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Beck_ZAACAB_2005_1809.cif
_cod_data_source_block           Fe1.02I1.02N3O3
_cod_original_cell_volume        317.6688
_cod_database_code               1535039
Crystal structure and negative thermal expansion of metastable Y2 Mo3 O12
Marinkovic, B.A.; Jardim, P.M.; Rizzo, F.; de Avillez, R.R.; Solid State Sciences 7 (2005) 1377–1383; doi:

data_1535040
_publ_section_title
;
 Crystal structure and negative thermal expansion of metastable Y2 Mo3 O12
;
_journal_name_full               'Solid State Sciences'
_journal_page_first              1377
_journal_page_last               1383
_journal_volume                  7
_journal_year                    2005
_chemical_formula_sum            'Mo3 O12 Y2'
_chemical_name_systematic        'Y2 (Mo O4)3'
_space_group_IT_number           60
_symmetry_space_group_name_Hall  '-P 2n 2ab'
_symmetry_space_group_name_H-M   'P b c n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   13.86882
_cell_length_b                   9.93488
_cell_length_c                   10.02158
_cell_volume                     1380.824
_citation_journal_id_ASTM        SSSCFJ
_cod_data_source_file            Marinkovic_SSSCFJ_2005_1832.cif
_cod_data_source_block           Mo3O12Y2
_cod_database_code               1535040
Crystal structure of dipotassium lithium diarsenidogallate, K2 Li Ga As2
Somer, M.; Carrillo-Cabrera, W.; Peters, E.M.; Peters, K.; von Schnering, H.G.; Zeitschrift fuer Kristallographie (149,1979-) 210 (1995) 528–528; doi:

data_8103894
_publ_section_title
;
 Crystal structure of dipotassium lithium diarsenidogallate, K2 Li Ga As2
;
_journal_name_full
'Zeitschrift fuer Kristallographie (149,1979-)'
_journal_page_first              528
_journal_page_last               528
_journal_volume                  210
_journal_year                    1995
_chemical_formula_sum            'As2 Ga K2 Li'
_chemical_name_systematic        'K2 Li (Ga As2)'
_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                   12.4451
_cell_length_b                   15.2431
_cell_length_c                   6.2317
_cell_volume                     1182.165
_citation_journal_id_ASTM        ZEKRDZ
_cod_data_source_file            Somer_ZEKRDZ_1995_1707.cif
_cod_data_source_block           As2Ga1K2Li1
_cod_original_formula_sum        'As2 Ga1 K2 Li1'
_cod_database_code               8103894
Structure and stereochemistry in 'f-block' complexes of high coordination number. VIII The (M(unidentate)9) system. Crystal structures of (M (O H2)9) (C F3 S O3)3, M= La, Gd, Lu, Y
Harrowfield, J.M.B.; Kepert, D.L.; Patrick, J.M.; White, A.H.; Australian Journal of Chemistry 36 (1983) 483–492; doi:

data_1535041
_publ_section_title
;
 Structure and stereochemistry in 'f-block' complexes of high coordination
 number. VIII The (M(unidentate)9) system. Crystal structures of (M (O
 H2)9) (C F3 S O3)3, M= La, Gd, Lu, Y
;
_journal_name_full               'Australian Journal of Chemistry'
_journal_page_first              483
_journal_page_last               492
_journal_volume                  36
_journal_year                    1983
_chemical_formula_sum            'C3 H18 F9 Gd O18 S3'
_chemical_name_systematic        '(Gd (H2 O)9) ((C F3) S O3)3'
_space_group_IT_number           176
_symmetry_space_group_name_Hall  '-P 6c'
_symmetry_space_group_name_H-M   'P 63/m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   13.7
_cell_length_b                   13.7
_cell_length_c                   7.512
_cell_volume                     1221.033
_citation_journal_id_ASTM        AJCHAS
_cod_data_source_file            Harrowfield_AJCHAS_1983_270.cif
_cod_data_source_block           C3H18F9Gd1O18S3
_cod_original_formula_sum        'C3 H18 F9 Gd1 O18 S3'
_cod_database_code               1535041
The Lewis acid-base adducts of bismuth and aluminium trihalides - crystal structures of [Bi2 X4] [Al X4]2 (X = Cl, Br)
Beck, J.; Hengstmann, M.; Schlueter, S.; Zeitschrift fuer Kristallographie (149,1979-) 220 (2005) 147–151; doi:

data_8103895
_publ_section_title
;
 The Lewis acid-base adducts of bismuth and aluminium trihalides - crystal
 structures of [Bi2 X4] [Al X4]2 (X = Cl, Br)
;
_journal_name_full
'Zeitschrift fuer Kristallographie (149,1979-)'
_journal_page_first              147
_journal_page_last               151
_journal_volume                  220
_journal_year                    2005
_chemical_formula_sum            'Al2 Bi2 Cl12'
_chemical_name_systematic        '(Bi2 Cl4) (Al Cl4)2'
_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                 95.09
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   7.7322
_cell_length_b                   11.9565
_cell_length_c                   10.3535
_cell_volume                     953.407
_citation_journal_id_ASTM        ZEKRDZ
_cod_data_source_file            Beck_ZEKRDZ_2005_1715.cif
_cod_data_source_block           Al2Bi2Cl12
_cod_database_code               8103895
The crystal structure of Bi (Bi2 S3)9 Br3
Mariolacos, K.; Acta Crystallographica B (24,1968-38,1982) 32 (1976) 1947–1949; doi:

data_2106883
_publ_section_title
;
 The crystal structure of Bi (Bi2 S3)9 Br3
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              1947
_journal_page_last               1949
_journal_volume                  32
_journal_year                    1976
_chemical_formula_sum            'Bi6.333 Br S9'
_chemical_name_systematic        'Bi0.333 Br (Bi6 S9)'
_space_group_IT_number           173
_symmetry_space_group_name_Hall  'P 6c'
_symmetry_space_group_name_H-M   'P 63'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   15.545
_cell_length_b                   15.545
_cell_length_c                   4.019
_cell_volume                     841.066
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            Mariolacos_ACBCAR_1976_423.cif
_cod_data_source_block           Bi6.333Br1S9
_cod_original_formula_sum        'Bi6.333 Br1 S9'
_cod_database_code               2106883
Crystal structure of sodium potassium antimonide triantimonidoaluminate, Na3 K6 Sb (Al Sb3)
Somer, M.; Carrillo-Cabrera, W.; von Schnering, H.G.; Peters, K.; Peters, E.M.; Zeitschrift fuer Kristallographie (149,1979-) 210 (1995) 527–527; doi:

data_8103896
_publ_section_title
;
 Crystal structure of sodium potassium antimonide triantimonidoaluminate,
 Na3 K6 Sb (Al Sb3)
;
_journal_name_full
'Zeitschrift fuer Kristallographie (149,1979-)'
_journal_page_first              527
_journal_page_last               527
_journal_volume                  210
_journal_year                    1995
_chemical_formula_sum            'Al K6 Na3 Sb4'
_chemical_name_systematic        'Na3 K6 Sb (Al Sb3)'
_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                   10.168
_cell_length_b                   10.168
_cell_length_c                   10.527
_cell_volume                     942.554
_citation_journal_id_ASTM        ZEKRDZ
_cod_data_source_file            Somer_ZEKRDZ_1995_1708.cif
_cod_data_source_block           Al1K6Na3Sb4
_cod_original_cell_volume        942.5543
_cod_original_formula_sum        'Al1 K6 Na3 Sb4'
_cod_database_code               8103896
Structure and Stereochemistry in 'f-Block' Complexes of High Coordination Number. VIII The (M(unidentate)9) System. Crystal Structures of (M (O H2)9) (C F3 S O3)3, M= La, Gd, Lu, Y
Harrowfield, J.M.B.; Kepert, D.L.; Patrick, J.M.; White, A.H.; Australian Journal of Chemistry 36 (1983) 483–492; doi:

data_1535042
_publ_section_title
;
 Structure and Stereochemistry in 'f-Block' Complexes of High Coordination
 Number. VIII The (M(unidentate)9) System. Crystal Structures of (M (O
 H2)9) (C F3 S O3)3, M= La, Gd, Lu, Y
;
_journal_name_full               'Australian Journal of Chemistry'
_journal_page_first              483
_journal_page_last               492
_journal_volume                  36
_journal_year                    1983
_chemical_formula_sum            'C3 H18 F9 Lu O18 S3'
_chemical_name_systematic        '(Lu (H2 O)9) (C F3 S O3)3'
_space_group_IT_number           176
_symmetry_space_group_name_Hall  '-P 6c'
_symmetry_space_group_name_H-M   'P 63/m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   13.259
_cell_length_b                   13.259
_cell_length_c                   7.751
_cell_volume                     1180.076
_citation_journal_id_ASTM        AJCHAS
_cod_data_source_file            Harrowfield_AJCHAS_1983_271.cif
_cod_data_source_block           C3H18F9Lu1O18S3
_cod_original_formula_sum        'C3 H18 F9 Lu1 O18 S3'
_cod_database_code               1535042
The Lewis acid-base adducts of bismuth and aluminium trihalides - crystal structures of [Bi2 X4] [Al X4]2 (X = Cl, Br)
Beck, J.; Hengstmann, M.; Schlueter, S.; Zeitschrift fuer Kristallographie (149,1979-) 220 (2005) 147–151; doi:

data_8103897
_publ_section_title
;
 The Lewis acid-base adducts of bismuth and aluminium trihalides - crystal
 structures of [Bi2 X4] [Al X4]2 (X = Cl, Br)
;
_journal_name_full
'Zeitschrift fuer Kristallographie (149,1979-)'
_journal_page_first              147
_journal_page_last               151
_journal_volume                  220
_journal_year                    2005
_chemical_formula_sum            'Al2 Bi2 Br12'
_chemical_name_systematic        '(Bi2 Br4) (Al Br4)2'
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                104.19
_cell_angle_beta                 102.65
_cell_angle_gamma                99.46
_cell_formula_units_Z            1
_cell_length_a                   7.693
_cell_length_b                   7.706
_cell_length_c                   9.739
_cell_volume                     531.440
_citation_journal_id_ASTM        ZEKRDZ
_cod_data_source_file            Beck_ZEKRDZ_2005_1716.cif
_cod_data_source_block           Al2Bi2Br12
_cod_original_cell_volume        531.4404
_cod_database_code               8103897
Some additional changes in space groups of published crystal structures
Marsh, R.E.; Herbstein, F.H.; Acta Crystallographica B (39,1983-) 39 (1983) 280–287; doi:

data_2106884
_publ_section_title
;
 Some additional changes in space groups of published crystal structures
;
_journal_name_full               'Acta Crystallographica B (39,1983-)'
_journal_page_first              280
_journal_page_last               287
_journal_volume                  39
_journal_year                    1983
_chemical_formula_sum            'Cr F5 H20 N2 O6'
_chemical_name_systematic        '(N H4)2 (Cr (H2 O)6) F5'
_space_group_IT_number           163
_symmetry_space_group_name_Hall  '-P 3 2c'
_symmetry_space_group_name_H-M   'P -3 1 c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   6.927
_cell_length_b                   6.927
_cell_length_c                   13.574
_cell_volume                     564.065
_citation_journal_id_ASTM        ASBSDK
_cod_data_source_file            Marsh_ASBSDK_1983_581.cif
_cod_data_source_block           H20Cr1F5N2O6
_cod_original_cell_volume        564.0646
_cod_original_formula_sum        'H20 Cr1 F5 N2 O6'
_cod_database_code               2106884
Crystal structure of trisodium catena-di-mue-phosphidoaluminate, Na3 Al P2
Somer, M.; von Schnering, H.G.; Carrillo-Cabrera, W.; Peters, E.M.; Peters, K.; Zeitschrift fuer Kristallographie (149,1979-) 210 (1995) 777–777; doi:

data_8103898
_publ_section_title
;
 Crystal structure of trisodium catena-di-mue-phosphidoaluminate, Na3 Al
 P2
;
_journal_name_full
'Zeitschrift fuer Kristallographie (149,1979-)'
_journal_page_first              777
_journal_page_last               777
_journal_volume                  210
_journal_year                    1995
_chemical_formula_sum            'Al Na3 P2'
_chemical_name_systematic        'Na3 (Al P2)'
_space_group_IT_number           72
_symmetry_space_group_name_Hall  '-I 2 2c'
_symmetry_space_group_name_H-M   'I b a m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.773
_cell_length_b                   13.194
_cell_length_c                   6.077
_cell_volume                     543.059
_citation_journal_id_ASTM        ZEKRDZ
_cod_data_source_file            Somer_ZEKRDZ_1995_1839.cif
_cod_data_source_block           Al1Na3P2
_cod_original_cell_volume        543.0587
_cod_original_formula_sum        'Al1 Na3 P2'
_cod_database_code               8103898
Structure and Stereochemistry in 'f-Block' Complexes of High Coordination Number. VIII The (M(unidentate)9) System. Crystal Structures of (M (O H2)9) (C F3 S O3)3, M= La, Gd, Lu, Y
Harrowfield, J.M.B.; Kepert, D.L.; Patrick, J.M.; White, A.H.; Australian Journal of Chemistry 36 (1983) 483–492; doi:

data_1535043
_publ_section_title
;
 Structure and Stereochemistry in 'f-Block' Complexes of High Coordination
 Number. VIII The (M(unidentate)9) System. Crystal Structures of (M (O
 H2)9) (C F3 S O3)3, M= La, Gd, Lu, Y
;
_journal_name_full               'Australian Journal of Chemistry'
_journal_page_first              483
_journal_page_last               492
_journal_volume                  36
_journal_year                    1983
_chemical_formula_sum            'C3 H18 F9 O18 S3 Y'
_chemical_name_systematic        '(Y (H2 O)9) (C F3 S O3)3'
_space_group_IT_number           176
_symmetry_space_group_name_Hall  '-P 6c'
_symmetry_space_group_name_H-M   'P 63/m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   13.52
_cell_length_b                   13.52
_cell_length_c                   7.653
_cell_volume                     1211.479
_citation_journal_id_ASTM        AJCHAS
_cod_data_source_file            Harrowfield_AJCHAS_1983_272.cif
_cod_data_source_block           C3H18F9O18S3Y1
_cod_original_formula_sum        'C3 H18 F9 O18 S3 Y1'
_cod_database_code               1535043
The (Te4)2+ polycation in the structures of Te4 (Nb Cl6)2, Te4 (Ta Cl6)2, Te4 (Ta Br6)2 and Te4 (Ta2O Br10)
Beck, J.; Bock, G.; Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-) 51 (1996) 119–126; doi:

data_7222529
_publ_section_title
;
 The (Te4)2+ polycation in the structures of Te4 (Nb Cl6)2, Te4 (Ta Cl6)2,
 Te4 (Ta Br6)2 and Te4 (Ta2O Br10)
;
_journal_name_full
;
Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische 
Chemie (42,1987-)
;
_journal_page_first              119
_journal_page_last               126
_journal_volume                  51
_journal_year                    1996
_chemical_formula_sum            'Br12 Ta2 Te4'
_chemical_name_systematic        '(Te4) (Ta Br6)2'
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                95.29
_cell_angle_beta                 98.05
_cell_angle_gamma                85.31
_cell_formula_units_Z            1
_cell_length_a                   6.809
_cell_length_b                   7.104
_cell_length_c                   12.399
_cell_volume                     589.871
_citation_journal_id_ASTM        ZNBSEN
_cod_data_source_file            Beck_ZNBSEN_1996_1801.cif
_cod_data_source_block           Br12Ta2Te4
_cod_original_cell_volume        589.8709
_cod_database_code               7222529
Some additional changes in space groups of published crystal structures
Marsh, R.E.; Herbstein, F.H.; Acta Crystallographica B (39,1983-) 39 (1983) 280–287; doi:

data_2106885
_publ_section_title
;
 Some additional changes in space groups of published crystal structures
;
_journal_name_full               'Acta Crystallographica B (39,1983-)'
_journal_page_first              280
_journal_page_last               287
_journal_volume                  39
_journal_year                    1983
_chemical_formula_sum            'F3 I Sn2'
_chemical_name_systematic        'Sn2 I F3'
_space_group_crystal_system      orthorhombic
_space_group_IT_number           63
_space_group_name_Hall           '-C 2c 2c'
_space_group_name_H-M_alt        'C c m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   13.502
_cell_length_b                   4.371
_cell_length_c                   9.34
_cell_volume                     551.221
_citation_journal_id_ASTM        ASBSDK
_cod_data_source_file            Marsh_ASBSDK_1983_582.cif
_cod_data_source_block           F3I1Sn2
_cod_depositor_comments
;
 Updating space group information.

 Antanas Vaitkus,
 2018-07-22
;
_cod_original_formula_sum        'F3 I1 Sn2'
_cod_database_code               2106885
Crystal structures of trirubidium diarsenidoborate, Rb3 B As2 and trirubidium diphosphidoborate, Rb3 B P2
Somer, M.; Carrillo-Cabrera, W.; Peters, E.M.; von Schnering, H.G.; Peters, K.; Zeitschrift fuer Kristallographie (149,1979-) 210 (1995) 779–780; doi:

data_8103899
_publ_section_title
;
 Crystal structures of trirubidium diarsenidoborate, Rb3 B As2 and
 trirubidium diphosphidoborate, Rb3 B P2
;
_journal_name_full
'Zeitschrift fuer Kristallographie (149,1979-)'
_journal_page_first              779
_journal_page_last               780
_journal_volume                  210
_journal_year                    1995
_chemical_formula_sum            'As2 B Rb3'
_chemical_name_systematic        'Rb3 (B As2)'
_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                 111.077
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.772
_cell_length_b                   9.4429
_cell_length_c                   9.6494
_cell_volume                     830.838
_citation_journal_id_ASTM        ZEKRDZ
_cod_data_source_file            Somer_ZEKRDZ_1995_1840.cif
_cod_data_source_block           As2B1Rb3
_cod_original_cell_volume        830.8381
_cod_original_formula_sum        'As2 B1 Rb3'
_cod_database_code               8103899