LMucko/crystallography-open-database huggingface dataset:
The crystal structure of potassium heptafluoroprotactinate(V) and bonding in M L9 complexes
Brown, D.; Smith, A.J.; Kettle, S.F.A.; Journal of the Chemical Society A: Inorganic, Physical, Theoretical (1966-1971) 1967 (1967) 1429–1434; doi:

data_1528381
_publ_section_title
;
 The crystal structure of potassium heptafluoroprotactinate(V) and bonding
 in M L9 complexes
;
_journal_name_full
;
Journal of the Chemical Society A: Inorganic, Physical, Theoretical (1966-1971)
;
_journal_page_first              1429
_journal_page_last               1434
_journal_volume                  1967
_journal_year                    1967
_chemical_formula_sum            'F7 K2 Pa'
_chemical_name_systematic        'K2 (Pa F7)'
_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                 125.17
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   13.76
_cell_length_b                   6.742
_cell_length_c                   8.145
_cell_volume                     617.672
_citation_journal_id_ASTM        JCSIAP
_cod_data_source_file            Brown_JCSIAP_1967_336.cif
_cod_data_source_block           F7K2Pa1
_cod_original_cell_volume        617.6717
_cod_original_formula_sum        'F7 K2 Pa1'
_cod_database_code               1528381
Structure data for some arsenic- and germanium-rich compounds of molybdenum
Brown, A.; Nature (London) 206 (1965) 502–503; doi:

data_1528382
_publ_section_title
;
 Structure data for some arsenic- and germanium-rich compounds of
 molybdenum
;
_journal_name_full               'Nature (London)'
_journal_page_first              502
_journal_page_last               503
_journal_volume                  206
_journal_year                    1965
_chemical_formula_sum            'As2 Mo'
_chemical_name_systematic        'Mo As2'
_space_group_IT_number           5
_symmetry_space_group_name_Hall  'C 2y'
_symmetry_space_group_name_H-M   'C 1 2 1'
_cell_angle_alpha                90
_cell_angle_beta                 119.35
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.067
_cell_length_b                   3.3
_cell_length_c                   7.718
_cell_volume                     201.289
_citation_journal_id_ASTM        NATUAS
_cod_data_source_file            Brown_NATUAS_1965_306.cif
_cod_data_source_block           As2Mo1
_cod_original_cell_volume        201.2892
_cod_original_formula_sum        'As2 Mo1'
_cod_database_code               1528382
Structure data for some Arsenic- and Germanium-rich Compounds of Molybdenum
Brown, A.; Nature (London) 206 (1965) 502–503; doi:

data_1528383
_publ_section_title
;
 Structure data for some Arsenic- and Germanium-rich Compounds of
 Molybdenum
;
_journal_name_full               'Nature (London)'
_journal_page_first              502
_journal_page_last               503
_journal_volume                  206
_journal_year                    1965
_chemical_formula_sum            'As2 Mo0.4'
_chemical_name_systematic        'Mo.4 As2'
_space_group_IT_number           58
_symmetry_space_group_name_Hall  '-P 2 2n'
_symmetry_space_group_name_H-M   'P n n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.299
_cell_length_b                   5.983
_cell_length_c                   2.885
_cell_volume                     91.466
_citation_journal_id_ASTM        NATUAS
_cod_data_source_file            Brown_NATUAS_1965_307.cif
_cod_data_source_block           As2Mo0.4
_cod_original_cell_volume        91.46579
_cod_database_code               1528383
Structure data for some arsenic- and germanium-rich compounds of molybdenum
Brown, A.; Nature (London) 206 (1965) 502–503; doi:

data_1528384
_publ_section_title
;
 Structure data for some arsenic- and germanium-rich compounds of
 molybdenum
;
_journal_name_full               'Nature (London)'
_journal_page_first              502
_journal_page_last               503
_journal_volume                  206
_journal_year                    1965
_chemical_formula_sum            'Ge2 Mo'
_chemical_name_systematic        'Mo Ge2'
_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                   6.343
_cell_length_b                   3.451
_cell_length_c                   8.582
_cell_volume                     187.857
_citation_journal_id_ASTM        NATUAS
_cod_data_source_file            Brown_NATUAS_1965_308.cif
_cod_data_source_block           Ge2Mo1
_cod_original_cell_volume        187.8573
_cod_original_formula_sum        'Ge2 Mo1'
_cod_database_code               1528384
Crystal structures of Ca-rich Clinopyroxenes on the Ca Mg Si2 O6 - Mg2 Si2 O6 join
Bruno, E.; Carbonin, S.; Molin, G.; TMPM. Tschermaks Mineralogische und Petrographische Mitteilungen (1979-) 29 (1982) 223–240; doi:

data_1528385
_publ_section_title
;
 Crystal structures of Ca-rich Clinopyroxenes on the Ca Mg Si2 O6 - Mg2
 Si2 O6 join
;
_journal_name_full
;
TMPM. Tschermaks Mineralogische und Petrographische Mitteilungen (1979-)
;
_journal_page_first              223
_journal_page_last               240
_journal_volume                  29
_journal_year                    1982
_chemical_formula_sum            'Ca0.89 Mg1.11 O6 Si1.98'
_chemical_name_systematic        'Ca.89 Mg1.11 Si1.98 O6'
_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                 106.08
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.738
_cell_length_b                   8.918
_cell_length_c                   5.248
_cell_volume                     437.924
_citation_journal_id_ASTM        TTMMDZ
_cod_data_source_file            Bruno_TTMMDZ_1982_473.cif
_cod_data_source_block           Ca0.89Mg1.11O6Si1.98
_cod_original_cell_volume        437.9236
_cod_database_code               1528385
The crystal structure of callaghanite Cu8 Mg8 (C O3)4 (O H)24 (H2 O)8
Brunton, G.; Steinfink, H.; Beck, C.W.; Acta Crystallographica (1,1948-23,1967) 11 (1958) 169–174; doi:

data_2310536
_publ_section_title
;
 The crystal structure of callaghanite Cu8 Mg8 (C O3)4 (O H)24 (H2 O)8
;
_journal_name_full               'Acta Crystallographica (1,1948-23,1967)'
_journal_page_first              169
_journal_page_last               174
_journal_volume                  11
_journal_year                    1958
_chemical_formula_sum            'C H10 Cu2 Mg2 O11'
_chemical_name_systematic        'Cu2 Mg2 (C O3) (O H)6 (H2 O)2'
_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                 107.3
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.06
_cell_length_b                   11.8
_cell_length_c                   8.24
_cell_volume                     933.903
_citation_journal_id_ASTM        ACCRA9
_cod_data_source_file            Brunton_ACCRA9_1958_255.cif
_cod_data_source_block           C1H10Cu2Mg2O11
_cod_original_formula_sum        'C1 H10 Cu2 Mg2 O11'
_cod_database_code               2310536
The Crystal Structure of Aminoguanidine Hydrochloride
Bryden, J.H.; Acta Crystallographica (1,1948-23,1967) 10 (1957) 677–680; doi:

data_2310537
_publ_section_title
;
 The Crystal Structure of Aminoguanidine Hydrochloride
;
_journal_name_full               'Acta Crystallographica (1,1948-23,1967)'
_journal_page_first              677
_journal_page_last               680
_journal_volume                  10
_journal_year                    1957
_chemical_formula_sum            'C H7 Cl N4'
_chemical_name_systematic        'C (N H2)2 (N H N H2) Cl'
_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                 103.1
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.78
_cell_length_b                   11.07
_cell_length_c                   6
_cell_volume                     503.300
_citation_journal_id_ASTM        ACCRA9
_cod_data_source_file            Bryden_ACCRA9_1957_247.cif
_cod_data_source_block           C1H7Cl1N4
_cod_original_cell_volume        503.2997
_cod_original_sg_symbol_Hall     '-P 2ybc (x-z,y,z)'
_cod_original_formula_sum        'C1 H7 Cl1 N4'
_cod_database_code               2310537
The Crystal Structure of the Hydrazine Salt of 5-Aminotetrazol
Bryden, J. H.; Acta Crystallographica (1,1948-23,1967) 11 (1958) 31–37; doi:10.1107/S0365110X58000062

data_2310538
_publ_section_title
;
 The Crystal Structure of the Hydrazine Salt of 5-Aminotetrazol
;
_journal_issue                   1
_journal_name_full               'Acta Crystallographica (1,1948-23,1967)'
_journal_page_first              31
_journal_page_last               37
_journal_paper_doi               10.1107/S0365110X58000062
_journal_volume                  11
_journal_year                    1958
_chemical_formula_sum            'C H7 N7'
_chemical_name_systematic        'N2 H5 C N5 H2'
_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            4
_cell_length_a                   13.64
_cell_length_b                   9.67
_cell_length_c                   3.86
_cell_volume                     509.129
_citation_journal_id_ASTM        ACCRA9
_cod_data_source_file            Bryden_ACCRA9_1958_252.cif
_cod_data_source_block           C1H7N7
_cod_depositor_comments
;
 Marking attached hydrogen atoms.

 Antanas Vaitkus,
 2016-12-28
;
_cod_original_cell_volume        509.1294
_cod_original_formula_sum        'C1 H7 N7'
_cod_database_code               2310538
The crystal structure of azo-bis-N-chloroformamidine
Bryden, J.H.; Acta Crystallographica (1,1948-23,1967) 11 (1958) 158–161; doi:

data_2310539
_publ_section_title
;
 The crystal structure of azo-bis-N-chloroformamidine
;
_journal_name_full               'Acta Crystallographica (1,1948-23,1967)'
_journal_page_first              158
_journal_page_last               161
_journal_volume                  11
_journal_year                    1958
_chemical_formula_sum            'C2 H4 Cl2 N6'
_chemical_name_systematic        'C2 N6 H4 Cl2'
_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                 97.83
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   3.7
_cell_length_b                   10.43
_cell_length_c                   9.01
_cell_volume                     344.463
_citation_journal_id_ASTM        ACCRA9
_cod_data_source_file            Bryden_ACCRA9_1958_254.cif
_cod_data_source_block           C2H4Cl2N6
_cod_original_cell_volume        344.4632
_cod_database_code               2310539
Preparation and structure of anhydrous zinc chloride
Brynestad, J.; Yakel, H.L.jr.; Inorganic Chemistry 17 (1978) 1376–1377; doi:

data_4343817
_publ_section_title
;
 Preparation and structure of anhydrous zinc chloride
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              1376
_journal_page_last               1377
_journal_volume                  17
_journal_year                    1978
_chemical_formula_sum            'Cl2 Zn'
_chemical_name_systematic        'Zn Cl2'
_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                   6.443
_cell_length_b                   7.693
_cell_length_c                   6.125
_cell_volume                     303.592
_citation_journal_id_ASTM        INOCAJ
_cod_data_source_file            Brynestad_INOCAJ_1978_369.cif
_cod_data_source_block           Cl2Zn1
_cod_original_cell_volume        303.5917
_cod_original_formula_sum        'Cl2 Zn1'
_cod_database_code               4343817
Single crystal x-ray diffraction studies on [(C H3)(n) N H(4-n)]3 [Sb2 Cl9] (n = 2,3) chloroantimonates(III) in their low-temperature ferroelectric phases - structures and phase transition
Bujak, M.; Angel, R.J.; Journal of Solid State Chemistry 178 (2005) 2237–2246; doi:

data_1528386
_publ_section_title
;
 Single crystal x-ray diffraction studies on [(C H3)(n) N H(4-n)]3 [Sb2
 Cl9] (n = 2,3) chloroantimonates(III) in their low-temperature
 ferroelectric phases - structures and phase transition
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              2237
_journal_page_last               2246
_journal_volume                  178
_journal_year                    2005
_chemical_formula_sum            'C6 H24 Cl9 N3 Sb2'
_chemical_name_systematic        '((C H3)2 N H2)3 (Sb2 Cl9)'
_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                 95.229
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   9.359
_cell_length_b                   9.0097
_cell_length_c                   14.1308
_cell_volume                     1186.576
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Bujak_JSSCBI_2005_1022.cif
_cod_data_source_block           C6H24Cl9N3Sb2
_cod_database_code               1528386
Single crystal x-ray diffraction studies on [(C H3)(n) N H(4-n)]3 [Sb2 Cl9] (n = 2,3) chloroantimonates(III) in their low-temperature ferroelectric phases - structures and phase transition
Bujak, M.; Angel, R.J.; Journal of Solid State Chemistry 178 (2005) 2237–2246; doi:

data_1528387
_publ_section_title
;
 Single crystal x-ray diffraction studies on [(C H3)(n) N H(4-n)]3 [Sb2
 Cl9] (n = 2,3) chloroantimonates(III) in their low-temperature
 ferroelectric phases - structures and phase transition
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              2237
_journal_page_last               2246
_journal_volume                  178
_journal_year                    2005
_chemical_formula_sum            'C9 H30 Cl9 N3 Sb2'
_chemical_name_systematic        '((C H3)3 N H)3 (Sb2 Cl9)'
_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                 89.988
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   9.8652
_cell_length_b                   9.1129
_cell_length_c                   15.0964
_cell_volume                     1357.175
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Bujak_JSSCBI_2005_1024.cif
_cod_data_source_block           C9H30Cl9N3Sb2
_cod_database_code               1528387
Crystal structure and high-pressure properties of gamma-Mo2 N determined by neutron powder diffraction and x-ray diffraction
Bull, C.L.; Takayama-Muromachi, E.; McMillan, P.F.; Machon, D,; Shebanova, O.; Daisenberger, D.; Kawashima, T.; Soignard, E.; Chapon, L.C.; Journal of Solid State Chemistry 179 (2006) 1762–1767; doi:

data_1528388
_publ_section_title
;
 Crystal structure and high-pressure properties of gamma-Mo2 N determined
 by neutron powder diffraction and x-ray diffraction
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              1762
_journal_page_last               1767
_journal_volume                  179
_journal_year                    2006
_chemical_formula_sum            'Mo N0.506'
_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                   4.16158
_cell_length_b                   4.16158
_cell_length_c                   4.16158
_cell_volume                     72.073
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Bull_JSSCBI_2006_1161.cif
_cod_data_source_block           Mo1N0.506
_cod_original_cell_volume        72.07336
_cod_original_formula_sum        'Mo1 N0.506'
_cod_database_code               1528388
A new dense form of solid germanium
Bundy, F.P.; Kasper, J.S.; Science 139 (1963) 340–341; doi:

data_1528389
_publ_section_title
;
 A new dense form of solid germanium
;
_journal_name_full               Science
_journal_page_first              340
_journal_page_last               341
_journal_volume                  139
_journal_year                    1963
_chemical_formula_sum            Ge
_space_group_IT_number           96
_symmetry_space_group_name_Hall  'P 4nw 2abw'
_symmetry_space_group_name_H-M   'P 43 21 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            12
_cell_length_a                   5.93
_cell_length_b                   5.93
_cell_length_c                   6.98
_cell_volume                     245.451
_citation_journal_id_ASTM        SCIEAS
_cod_data_source_file            Bundy_SCIEAS_1963_388.cif
_cod_data_source_block           Ge1
_cod_original_formula_sum        Ge1
_cod_database_code               1528389
Crystal Structure of Barium Hydrogen Orthophosphate
Burley, G.; Journal of Research of the National Bureau of Standards, Section A. Physics and Chemistry 60 (1958) 23–27; doi:

data_1528390
_publ_section_title
;
 Crystal Structure of Barium Hydrogen Orthophosphate
;
_journal_name_full
;
Journal of Research of the National Bureau of Standards, Section A. Physics 
and Chemistry
;
_journal_page_first              23
_journal_page_last               27
_journal_volume                  60
_journal_year                    1958
_chemical_formula_sum            'Ba H O4 P'
_chemical_name_systematic        'Ba H P O4'
_space_group_IT_number           33
_symmetry_space_group_name_Hall  'P -2ac -2n'
_symmetry_space_group_name_H-M   'P n 21 a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            12
_cell_length_a                   14.12
_cell_length_b                   17.15
_cell_length_c                   4.59
_cell_volume                     1111.505
_citation_journal_id_ASTM        JNBAAR
_cod_data_source_file            Burley_JNBAAR_1958_358.cif
_cod_data_source_block           H1Ba1O4P1
_cod_original_sg_symbol_Hall     'P 2c -2n (-x,z,y)'
_cod_original_formula_sum        'H1 Ba1 O4 P1'
_cod_database_code               1528390
Crystal structure of hexagonal sodium neodynium fluoride and related compounds
Burns, J.H.; Inorganic Chemistry 4 (1965) 881–886; doi:

data_4343818
_publ_section_title
;
 Crystal structure of hexagonal sodium neodynium fluoride and related
 compounds
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              881
_journal_page_last               886
_journal_volume                  4
_journal_year                    1965
_chemical_formula_sum            'F6 Na1.5 Nd1.5'
_chemical_name_systematic        '(Na Nd F4)1.5'
_space_group_IT_number           174
_symmetry_space_group_name_Hall  'P -6'
_symmetry_space_group_name_H-M   'P -6'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   6.1
_cell_length_b                   6.1
_cell_length_c                   3.711
_cell_volume                     119.586
_citation_journal_id_ASTM        INOCAJ
_cod_data_source_file            Burns_INOCAJ_1965_1777.cif
_cod_data_source_block           F6Na1.5Nd1.5
_cod_original_cell_volume        119.5863
_cod_database_code               4343818
Crystal structures of rubidium lithium fluoride, Rb Li F2, and cesium lithium fluoride, Cs Li F2
Burns, J.H.; Busing, W.R.; Inorganic Chemistry 4 (1965) 1510–1512; doi:

data_4343819
_publ_section_title
;
 Crystal structures of rubidium lithium fluoride, Rb Li F2, and cesium
 lithium fluoride, Cs Li F2
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              1510
_journal_page_last               1512
_journal_volume                  4
_journal_year                    1965
_chemical_formula_sum            'F2 Li Rb'
_chemical_name_systematic        'Rb Li F2'
_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                 94.91
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   5.83
_cell_length_b                   11.16
_cell_length_c                   7.86
_cell_volume                     509.517
_citation_journal_id_ASTM        INOCAJ
_cod_data_source_file            Burns_INOCAJ_1965_1780.cif
_cod_data_source_block           F2Li1Rb1
_cod_original_formula_sum        'F2 Li1 Rb1'
_cod_database_code               4343819
Crystal structures of rubidium lithium fluoride, Rb Li F2, and cesium lithium fluoride, Cs Li F2
Burns, J.H.; Busing, W.R.; Inorganic Chemistry 4 (1965) 1510–1512; doi:

data_4343820
_publ_section_title
;
 Crystal structures of rubidium lithium fluoride, Rb Li F2, and cesium
 lithium fluoride, Cs Li F2
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              1510
_journal_page_last               1512
_journal_volume                  4
_journal_year                    1965
_chemical_formula_sum            'Cs F2 Li'
_chemical_name_systematic        'Cs Li F2'
_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                 90.81
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   6.01
_cell_length_b                   11.64
_cell_length_c                   8.18
_cell_volume                     572.186
_citation_journal_id_ASTM        INOCAJ
_cod_data_source_file            Burns_INOCAJ_1965_1782.cif
_cod_data_source_block           Cs1F2Li1
_cod_original_cell_volume        572.1862
_cod_original_formula_sum        'Cs1 F2 Li1'
_cod_database_code               4343820