LMucko/crystallography-open-database huggingface dataset:
Structure, chemical reactions and the hydration-dehydration process of the hydrated sodium intercalates Na0.6 (D2 O)2 V S2 and Na0.6 (D2 O)2 V Se2
Bos-Alberink, A.J.A.; Haange, R.J.; Wiegers, G.A.; Journal of the Less-Common Metals 63 (1979) 69–80; doi:

data_1529679
_publ_section_title
;
 Structure, chemical reactions and the hydration-dehydration process of
 the hydrated sodium intercalates Na0.6 (D2 O)2 V S2 and Na0.6 (D2 O)2 V
 Se2
;
_journal_name_full               'Journal of the Less-Common Metals'
_journal_page_first              69
_journal_page_last               80
_journal_volume                  63
_journal_year                    1979
_chemical_formula_sum            'D4 Na0.6 O2 S2 V'
_chemical_name_systematic        'Na0.6 (D2 O)2 V S2'
_space_group_IT_number           166
_symmetry_space_group_name_Hall  '-R 3 2"'
_symmetry_space_group_name_H-M   'R -3 m :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   3.271
_cell_length_b                   3.271
_cell_length_c                   35.15
_cell_volume                     325.699
_citation_journal_id_ASTM        JCOMAH
_cod_data_source_file            Bos-Alberink_JCOMAH_1979_390.cif
_cod_data_source_block           D4Na0.6O2S2V1
_cod_original_cell_volume        325.6995
_cod_original_formula_sum        'D4 Na0.6 O2 S2 V1'
_cod_database_code               1529679
Structure, chemical reactions and the hydration-dehydration process of the hydrated sodium intercalates Na0.6 (D2 O)2 V S2 and Na0.6 (D2 O)2 V Se2
Bos-Alberink, A.J.A.; Wiegers, G.A.; Haange, R.J.; Journal of the Less-Common Metals 63 (1979) 69–80; doi:

data_1529680
_publ_section_title
;
 Structure, chemical reactions and the hydration-dehydration process of
 the hydrated sodium intercalates Na0.6 (D2 O)2 V S2 and Na0.6 (D2 O)2 V
 Se2
;
_journal_name_full               'Journal of the Less-Common Metals'
_journal_page_first              69
_journal_page_last               80
_journal_volume                  63
_journal_year                    1979
_chemical_formula_sum            'D4 Na0.6 O2 Se2 V'
_chemical_name_systematic        'Na0.6 (D2 O)2 V Se2'
_space_group_IT_number           166
_symmetry_space_group_name_Hall  '-R 3 2"'
_symmetry_space_group_name_H-M   'R -3 m :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   3.399
_cell_length_b                   3.399
_cell_length_c                   36.85
_cell_volume                     368.698
_citation_journal_id_ASTM        JCOMAH
_cod_data_source_file            Bos-Alberink_JCOMAH_1979_391.cif
_cod_data_source_block           D4Na0.6O2Se2V1
_cod_original_cell_volume        368.6977
_cod_original_formula_sum        'D4 Na0.6 O2 Se2 V1'
_cod_database_code               1529680
On the blue complexes of ruthenium. Part II. The structure of fac-trichlorotriammineruthenium(III)
Bottomley, F.; Canadian Journal of Chemistry 55 (1977) 2788–2791; doi:

data_1529681
_publ_section_title
;
 On the blue complexes of ruthenium. Part II. The structure of
 fac-trichlorotriammineruthenium(III)
;
_journal_name_full               'Canadian Journal of Chemistry'
_journal_page_first              2788
_journal_page_last               2791
_journal_volume                  55
_journal_year                    1977
_chemical_formula_sum            'Cl3 H9 N3 Ru'
_chemical_name_systematic        '(Ru Cl3 (N H3)3)'
_space_group_IT_number           31
_symmetry_space_group_name_Hall  'P 2ac -2'
_symmetry_space_group_name_H-M   'P m n 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   9.933
_cell_length_b                   6.522
_cell_length_c                   5.475
_cell_volume                     354.687
_citation_journal_id_ASTM        CJCHAG
_cod_data_source_file            Bottomley_CJCHAG_1977_380.cif
_cod_data_source_block           H9Cl3N3Ru1
_cod_original_formula_sum        'H9 Cl3 N3 Ru1'
_cod_database_code               1529681
Interaction between U F4 and Sb F5. F-19 NMR-investigations in solution, preparation and characterization of the adducts U F4 O (Sb F5)n (n=1-3) and crystal structure of U F4 (Sb F5)2
Bougon, R.; Fawcett, J.; Holloway, J.H.; Russell, D.R.; Journal of the Chemical Society. Dalton Transactions, Inorganic Chemistry (1972-) 1979 (1979) 1881–1885; doi:

data_4031405
_publ_section_title
;
 Interaction between U F4 and Sb F5. F-19 NMR-investigations in solution,
 preparation and characterization of the adducts U F4 O (Sb F5)n (n=1-3)
 and crystal structure of U F4 (Sb F5)2
;
_journal_name_full
;
Journal of the Chemical Society. Dalton Transactions, Inorganic Chemistry 
(1972-)
;
_journal_page_first              1881
_journal_page_last               1885
_journal_volume                  1979
_journal_year                    1979
_chemical_formula_sum            'F14 O Sb2 U'
_chemical_name_systematic        'U F4 O (Sb F5)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                 99.8
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.864
_cell_length_b                   14.704
_cell_length_c                   9.98
_cell_volume                     1137.170
_citation_journal_id_ASTM        JCDTBI
_cod_data_source_file            Bougon_JCDTBI_1979_850.cif
_cod_data_source_block           F14O1Sb2U1
_cod_original_cell_volume        1137.17
_cod_original_formula_sum        'F14 O1 Sb2 U1'
_cod_database_code               4031405
A Neutron Powder Diffraction Study of N D3 Intercalated Titanium Disulfide, 3R-Ti S2 N D3
Bouwmeester, H.J.M.; Wiegers, G.A.; Journal of Solid State Chemistry 76 (1988) 391–397; doi:

data_1529682
_publ_section_title
;
 A Neutron Powder Diffraction Study of N D3 Intercalated Titanium
 Disulfide, 3R-Ti S2 N D3
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              391
_journal_page_last               397
_journal_volume                  76
_journal_year                    1988
_chemical_formula_sum            'D3 N S2 Ti'
_chemical_name_systematic        'Ti S2 N D3'
_space_group_IT_number           166
_symmetry_space_group_name_Hall  '-R 3 2"'
_symmetry_space_group_name_H-M   'R -3 m :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   3.419
_cell_length_b                   3.419
_cell_length_c                   27.03
_cell_volume                     273.637
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Bouwmeester_JSSCBI_1988_1661.cif
_cod_data_source_block           D3N1S2Ti1
_cod_original_formula_sum        'D3 N1 S2 Ti1'
_cod_database_code               1529682
Structures and phase relations of compounds Nax Ti S2 and Nax Ti Se2
Bouwmeester, H.J.M.; Dekker, E.J.P.; Bronsema, K.D.; Haange, R.J.; Wiegers, G.A.; Revue de Chimie Minerale 19 (1982) 333–342; doi:

data_1529683
_publ_section_title
;
 Structures and phase relations of compounds Nax Ti S2 and Nax Ti Se2
;
_journal_name_full               'Revue de Chimie Minerale'
_journal_page_first              333
_journal_page_last               342
_journal_volume                  19
_journal_year                    1982
_chemical_formula_sum            'Na0.3 S2 Ti'
_chemical_name_systematic        'Na0.3 Ti S2'
_space_group_IT_number           166
_symmetry_space_group_name_Hall  '-R 3 2"'
_symmetry_space_group_name_H-M   'R -3 m :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            6
_cell_length_a                   3.406
_cell_length_b                   3.406
_cell_length_c                   38.2
_cell_volume                     383.781
_citation_journal_id_ASTM        RVCMA8
_cod_data_source_file            Bouwmeester_RVCMA8_1982_927.cif
_cod_data_source_block           Na0.3S2Ti1
_cod_original_cell_volume        383.7808
_cod_original_formula_sum        'Na0.3 S2 Ti1'
_cod_database_code               1529683
Ammonium tris(tetrachloroaurate(III))mue-chloro-bis-(dichloroargent te)
Bowles, J.C.; Hall, D.; Acta Crystallographica B (24,1968-38,1982) 31 (1975) 2149–2150; doi:

data_2106659
_publ_section_title
;
 Ammonium tris(tetrachloroaurate(III))mue-chloro-bis-(dichloroargent te)
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              2149
_journal_page_last               2150
_journal_volume                  31
_journal_year                    1975
_chemical_formula_sum            'Ag2 Au3 Cl17 H24 N6'
_chemical_name_systematic        '(N H4)6 (Au Cl4)3 Ag2 Cl5'
_space_group_IT_number           71
_symmetry_space_group_name_Hall  '-I 2 2'
_symmetry_space_group_name_H-M   'I m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   20.86
_cell_length_b                   11.2
_cell_length_c                   6.61
_cell_volume                     1544.308
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            Bowles_ACBCAR_1975_67.cif
_cod_data_source_block           H24Ag2Au3Cl17N6
_cod_original_formula_sum        'H24 Ag2 Au3 Cl17 N6'
_cod_database_code               2106659
Determination of the Diffusion Path in the Ionic Conductor La F3
Brach, I.; Schulz, H.; Solid State Ionics 15 (1985) 135–138; doi:

data_1529684
_publ_section_title
;
 Determination of the Diffusion Path in the Ionic Conductor La F3
;
_journal_name_full               'Solid State Ionics'
_journal_page_first              135
_journal_page_last               138
_journal_volume                  15
_journal_year                    1985
_chemical_formula_sum            'F3 La'
_chemical_name_systematic        'La F3'
_space_group_IT_number           165
_symmetry_space_group_name_Hall  '-P 3 2"c'
_symmetry_space_group_name_H-M   'P -3 c 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            6
_cell_length_a                   7.2
_cell_length_b                   7.2
_cell_length_c                   7.376
_cell_volume                     331.144
_citation_journal_id_ASTM        SSIOD3
_cod_data_source_file            Brach_SSIOD3_1985_1210.cif
_cod_data_source_block           F3La1
_cod_original_cell_volume        331.1437
_cod_original_formula_sum        'F3 La1'
_cod_database_code               1529684
Synthesis and molecular structure of mue 4-carbido-mue 2-carbonyltetrairon, a neutral iron butterfly cluster bearing an exposed carbon atom
Bradley, J.S.; Ansell, G.B.; Leonowicz, M.E.; Hill, E.W.; Journal of the American Chemical Society 103 (1981) 4968–4970; doi:

data_4124318
_publ_section_title
;
 Synthesis and molecular structure of mue 4-carbido-mue
 2-carbonyltetrairon, a neutral iron butterfly cluster bearing an exposed
 carbon atom
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              4968
_journal_page_last               4970
_journal_volume                  103
_journal_year                    1981
_chemical_formula_sum            'C14 Fe4 O13'
_chemical_name_systematic        'Fe4 (C O)13 C'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 98.73
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.337
_cell_length_b                   21.44
_cell_length_c                   9.519
_cell_volume                     1883.487
_citation_journal_id_ASTM        JACSAT
_cod_data_source_file            Bradley_JACSAT_1981_726.cif
_cod_data_source_block           C14Fe4O13
_cod_original_sg_symbol_Hall     '-P 2ybc (x-z,y,z)'
_cod_database_code               4124318
The Crystal Structure of Bis(hydrazincarboxylato-N',O) Cadmium
Braibanti, A.; Tiripicchio, A.; Manotti Lanfredi, A.M.; Bigoli, F.; Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) 126 (1968) 307–316; doi:

data_8103725
_publ_section_title
;
 The Crystal Structure of Bis(hydrazincarboxylato-N',O) Cadmium
;
_journal_name_full
;
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, 
Kristallchemie (-144,1977)
;
_journal_page_first              307
_journal_page_last               316
_journal_volume                  126
_journal_year                    1968
_chemical_formula_sum            'C2 H6 Cd N4 O4'
_chemical_name_systematic        'Cd (N H2 N H C O O)2'
_space_group_IT_number           18
_symmetry_space_group_name_Hall  'P 2 2ab'
_symmetry_space_group_name_H-M   'P 21 21 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.372
_cell_length_b                   9.116
_cell_length_c                   6.444
_cell_volume                     315.570
_citation_journal_id_ASTM        ZEKGAX
_cod_data_source_file            Braibanti_ZEKGAX_1968_18.cif
_cod_data_source_block           C2H6Cd1N4O4
_cod_original_cell_volume        315.5701
_cod_original_formula_sum        'C2 H6 Cd1 N4 O4'
_cod_database_code               8103725
Vibrational spectra and normal coordinate analysis of C F3 compounds XXXIV. The bis(trifluoromethyl)difluoroborate anion. X-Ray structure of Cs (C F3)2 B F2)
Brauer, D.J.; Buerger, H.; Pawelke, G.; Journal of Organometallic Chemistry 192 (1980) 305–317; doi:

data_4031406
_publ_section_title
;
 Vibrational spectra and normal coordinate analysis of C F3 compounds
 XXXIV. The bis(trifluoromethyl)difluoroborate anion. X-Ray structure of
 Cs (C F3)2 B F2)
;
_journal_name_full               'Journal of Organometallic Chemistry'
_journal_page_first              305
_journal_page_last               317
_journal_volume                  192
_journal_year                    1980
_chemical_formula_sum            'C2 B Cs F8'
_chemical_name_systematic        'Cs ((C F3)2 B F2)'
_space_group_IT_number           11
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 100.5
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.958
_cell_length_b                   7.628
_cell_length_c                   8.2997
_cell_volume                     370.885
_citation_journal_id_ASTM        JORCAI
_cod_data_source_file            Brauer_JORCAI_1980_603.cif
_cod_data_source_block           C2B1Cs1F8
_cod_original_cell_volume        370.8853
_cod_original_formula_sum        'C2 B1 Cs1 F8'
_cod_database_code               4031406
Thorium-containing pnictides with the La Fe4 P12 structure
Braun, D.J.; Jeitschko, W.; Journal of the Less-Common Metals 76 (1980) 33–40; doi:

data_1529685
_publ_section_title
;
 Thorium-containing pnictides with the La Fe4 P12 structure
;
_journal_name_full               'Journal of the Less-Common Metals'
_journal_page_first              33
_journal_page_last               40
_journal_volume                  76
_journal_year                    1980
_chemical_formula_sum            'Fe4 P12 Th'
_chemical_name_systematic        'Th Fe4 P12'
_space_group_IT_number           204
_symmetry_space_group_name_Hall  '-I 2 2 3'
_symmetry_space_group_name_H-M   'I m -3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   7.7999
_cell_length_b                   7.7999
_cell_length_c                   7.7999
_cell_volume                     474.534
_citation_journal_id_ASTM        JCOMAH
_cod_data_source_file            Braun_JCOMAH_1980_583.cif
_cod_data_source_block           Fe4P12Th1
_cod_original_cell_volume        474.5338
_cod_original_formula_sum        'Fe4 P12 Th1'
_cod_database_code               1529685
The crystal and molecular structure of triamminetriaquocobalt(III) perchlorate, (Co (N H3)3 (H2 O)3) (Cl O4)3. A highly disordered structure
Brennan, T.F.; Gardner, A.P.; Garafalo, A.R.; Davies, G.; Inorganica Chimica Acta 30 (1978) 97–101; doi:

data_1529686
_publ_section_title
;
 The crystal and molecular structure of triamminetriaquocobalt(III)
 perchlorate, (Co (N H3)3 (H2 O)3) (Cl O4)3. A highly disordered structure
;
_journal_name_full               'Inorganica Chimica Acta'
_journal_page_first              97
_journal_page_last               101
_journal_volume                  30
_journal_year                    1978
_chemical_formula_sum            'Cl3 Co H15 N3 O15'
_chemical_name_systematic        '(Co (N H3)3 (H2 O)3 ) (Cl O4)3'
_space_group_IT_number           200
_symmetry_space_group_name_Hall  '-P 2 2 3'
_symmetry_space_group_name_H-M   'P m -3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.213
_cell_length_b                   11.213
_cell_length_c                   11.213
_cell_volume                     1409.826
_citation_journal_id_ASTM        ICHAA3
_cod_data_source_file            Brennan_ICHAA3_1978_237.cif
_cod_data_source_block           H15Cl3Co1N3O15
_cod_original_formula_sum        'H15 Cl3 Co1 N3 O15'
_cod_database_code               1529686
Location of cations in metal ion-exchanged zeolites. Part 2. Crystal structures of a fully silver-exchanged heulandite
Bresciani-Pahor, N.; Calligaris, M.; Nardin, G.; Randaccio, L.; Journal of the Chemical Society. Dalton Transactions, Inorganic Chemistry (1972-) 1981 (1981) 2288–2291; doi:

data_4031407
_publ_section_title
;
 Location of cations in metal ion-exchanged zeolites. Part 2. Crystal
 structures of a fully silver-exchanged heulandite
;
_journal_name_full
;
Journal of the Chemical Society. Dalton Transactions, Inorganic Chemistry 
(1972-)
;
_journal_page_first              2288
_journal_page_last               2291
_journal_volume                  1981
_journal_year                    1981
_chemical_formula_sum            'Ag3.88 Al3.88 H31.44 O87.72 Si32.12'
_chemical_name_systematic        'Ag3.88 Si32.12 Al3.88 O72 (H2 O)15.72'
_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                 116.2
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   17.736
_cell_length_b                   18.104
_cell_length_c                   7.447
_cell_volume                     2145.503
_citation_journal_id_ASTM        JCDTBI
_cod_data_source_file            Bresciani-Pahor_JCDTBI_1981_843.cif
_cod_data_source_block           H31.44Ag3.88Al3.88O87.72Si32.12
_cod_original_formula_sum        'H31.44 Ag3.88 Al3.88 O87.72 Si32.12'
_cod_database_code               4031407
Crystal structures of NaCuO~2~ and KCuO~2~ by neutron diffraction
Brese, N. E.; O'Keeffe, M.; von Dreele, R. B.; Young, Jr, V.G.; Journal of Solid State Chemistry 83 (1989) 1–7; doi:10.1016/0022-4596(89)90047-9

data_1529687
_publ_section_title
;
 Crystal structures of NaCuO~2~ and KCuO~2~ by neutron diffraction
;
_journal_issue                   1
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              1
_journal_page_last               7
_journal_paper_doi               10.1016/0022-4596(89)90047-9
_journal_volume                  83
_journal_year                    1989
_chemical_formula_sum            'Cu Na O2'
_chemical_name_systematic        'Na Cu O2'
_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                 120.767
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   6.3512
_cell_length_b                   2.7474
_cell_length_c                   6.1027
_cell_volume                     91.500
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Brese_JSSCBI_1989_1866.cif
_cod_data_source_block           Cu1Na1O2
_cod_original_cell_volume        91.50011
_cod_original_formula_sum        'Cu1 Na1 O2'
_cod_database_code               1529687
The crystal and molecular structure of Co (N H3)5 P O4 (H2 O)3 a Na+ -K+ ATPase probe
Brewer, G.; Grisham, C.; Drucker, S.; Girard, J.; Sinn, E.; Inorganica Chimica Acta 89 (1984) 105–111; doi:

data_1529688
_publ_section_title
;
 The crystal and molecular structure of Co (N H3)5 P O4 (H2 O)3 a Na+ -K+
 ATPase probe
;
_journal_name_full               'Inorganica Chimica Acta'
_journal_page_first              105
_journal_page_last               111
_journal_volume                  89
_journal_year                    1984
_chemical_formula_sum            'Co H21 N5 O7 P'
_chemical_name_systematic        '(Co (N H3)5) (P O4) (H2 O)3'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 112.71
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.638
_cell_length_b                   14.517
_cell_length_c                   9.145
_cell_volume                     1057.856
_citation_journal_id_ASTM        ICHAA3
_cod_data_source_file            Brewer_ICHAA3_1984_1027.cif
_cod_data_source_block           H21Co1N5O7P1
_cod_original_sg_symbol_Hall     '-P 2ybc (x-z,y,z)'
_cod_original_formula_sum        'H21 Co1 N5 O7 P1'
_cod_database_code               1529688
Metal-induced oxidative fusion of boranes. Synthesis of B12 H16, the first neutral dodecaborane
Brewer, C.T.; Grimes, R.N.; Journal of the American Chemical Society 106 (1984) 2722–2723; doi:

data_4124319
_publ_section_title
;
 Metal-induced oxidative fusion of boranes. Synthesis of B12 H16, the
 first neutral dodecaborane
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              2722
_journal_page_last               2723
_journal_volume                  106
_journal_year                    1984
_chemical_formula_sum            'B12 H16'
_space_group_IT_number           33
_symmetry_space_group_name_Hall  'P 2c -2n'
_symmetry_space_group_name_H-M   'P n a 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.686
_cell_length_b                   8.686
_cell_length_c                   11.351
_cell_volume                     1053.584
_citation_journal_id_ASTM        JACSAT
_cod_data_source_file            Brewer_JACSAT_1984_1114.cif
_cod_data_source_block           H16B12
_cod_original_formula_sum        'H16 B12'
_cod_database_code               4124319