LMucko/crystallography-open-database huggingface dataset:
The Crystal Structure and Stability of Ba5 Fe4 S11
Cohen, S.; Kimizuka, N.; Steinfink, H.; Journal of Solid State Chemistry 35 (1980) 181–186; doi:

data_1528418
_publ_section_title
;
 The Crystal Structure and Stability of Ba5 Fe4 S11
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              181
_journal_page_last               186
_journal_volume                  35
_journal_year                    1980
_chemical_formula_sum            'Ba5 Fe4 S11'
_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                   16.06
_cell_length_b                   7.26
_cell_length_c                   8.863
_cell_volume                     1033.387
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Cohen_JSSCBI_1980_17.cif
_cod_data_source_block           Ba5Fe4S11
_cod_database_code               1528418
Crystal structures, Raman spectroscopy, and magnetic properties of Ba7.5 Al13 Si29 and Eu0.27 Ba7.22 Al13 Si29
Condron, C.L.; Kauzlarich, S.M.; Porter, R.; Guo, T.; Inorganic Chemistry 44 (2005) 9185–9191; doi:

data_4343829
_publ_section_title
;
 Crystal structures, Raman spectroscopy, and magnetic properties of Ba7.5
 Al13 Si29 and Eu0.27 Ba7.22 Al13 Si29
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              9185
_journal_page_last               9191
_journal_volume                  44
_journal_year                    2005
_chemical_formula_sum            'Al13 Ba7.5 Si29'
_chemical_name_systematic        'Ba7.5 Al13 Si29'
_space_group_IT_number           223
_symmetry_space_group_name_Hall  '-P 4n 2 3'
_symmetry_space_group_name_H-M   'P m -3 n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   10.6246
_cell_length_b                   10.6246
_cell_length_c                   10.6246
_cell_volume                     1199.327
_citation_journal_id_ASTM        INOCAJ
_cod_data_source_file            Condron_INOCAJ_2005_657.cif
_cod_data_source_block           Al13Ba7.5Si29
_cod_original_cell_volume        1199.328
_cod_database_code               4343829
Crystal structures, Raman spectroscopy, and magnetic properties of Ba7.5 Al13 Si29 and Eu0.27 Ba7.22 Al13 Si29
Condron, C.L.; Porter, R.; Guo, T.; Kauzlarich, S.M.; Inorganic Chemistry 44 (2005) 9185–9191; doi:

data_4343830
_publ_section_title
;
 Crystal structures, Raman spectroscopy, and magnetic properties of Ba7.5
 Al13 Si29 and Eu0.27 Ba7.22 Al13 Si29
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              9185
_journal_page_last               9191
_journal_volume                  44
_journal_year                    2005
_chemical_formula_sum            'Al13 Ba7.22 Eu0.27 Si29'
_chemical_name_systematic        'Eu0.27 Ba7.22 Al13 Si29'
_space_group_IT_number           223
_symmetry_space_group_name_Hall  '-P 4n 2 3'
_symmetry_space_group_name_H-M   'P m -3 n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   10.6306
_cell_length_b                   10.6306
_cell_length_c                   10.6306
_cell_volume                     1201.360
_citation_journal_id_ASTM        INOCAJ
_cod_data_source_file            Condron_INOCAJ_2005_658.cif
_cod_data_source_block           Al13Ba7.22Eu0.27Si29
_cod_original_cell_volume        1201.36
_cod_database_code               4343830
The Structures of Some Inorganic Cyanamides. II. The Structure of Lead Cyanamide
Cooper, M.J.; Acta Crystallographica (1,1948-23,1967) 17 (1964) 1452–1456; doi:

data_2310547
_publ_section_title
;
 The Structures of Some Inorganic Cyanamides. II. The Structure of Lead
 Cyanamide
;
_journal_name_full               'Acta Crystallographica (1,1948-23,1967)'
_journal_page_first              1452
_journal_page_last               1456
_journal_volume                  17
_journal_year                    1964
_chemical_formula_sum            'C N2 Pb'
_chemical_name_systematic        'Pb N C N'
_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                   5.553
_cell_length_b                   11.732
_cell_length_c                   3.867
_cell_volume                     251.927
_citation_journal_id_ASTM        ACCRA9
_cod_data_source_file            Cooper_ACCRA9_1964_172.cif
_cod_data_source_block           C1N2Pb1
_cod_original_cell_volume        251.9265
_cod_original_formula_sum        'C1 N2 Pb1'
_cod_database_code               2310547
Effects of partial substitution of Mo(6+) by Cr(6+) and W(6+) on the crystal structure of the fast oxide-ion conductor structural effects of W(6+)
Corbel, G.; Goutenoire, F.; Laligant, Y.; Suard, E.; Lacorre, P.; Chemistry of Materials (1,1989-) 17 (2005) 4678–4684; doi:

data_4002373
_publ_section_title
;
 Effects of partial substitution of Mo(6+) by Cr(6+) and W(6+) on the
 crystal structure of the fast oxide-ion conductor structural effects of
 W(6+)
;
_journal_name_full               'Chemistry of Materials (1,1989-)'
_journal_page_first              4678
_journal_page_last               4684
_journal_volume                  17
_journal_year                    2005
_chemical_formula_sum            'Cr0.1 La2 Mo1.9 O8.96'
_chemical_name_systematic        'La2 Mo1.9 Cr0.1 O8.96'
_space_group_IT_number           198
_symmetry_space_group_name_Hall  'P 2ac 2ab 3'
_symmetry_space_group_name_H-M   'P 21 3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   7.149
_cell_length_b                   7.149
_cell_length_c                   7.149
_cell_volume                     365.373
_citation_journal_id_ASTM        CMATEX
_cod_data_source_file            Corbel_CMATEX_2005_1063.cif
_cod_data_source_block           Cr0.1La2Mo1.9O8.96
_cod_original_cell_volume        365.3726
_cod_database_code               4002373
Effects of partial substitution of Mo(6+) by Cr(6+) and W(6+) on the crystal structure of the fast oxide-ion conductor structural effects of W(6+)
Corbel, G.; Laligant, Y.; Goutenoire, F.; Suard, E.; Lacorre, P.; Chemistry of Materials (1,1989-) 17 (2005) 4678–4684; doi:

data_4002374
_publ_section_title
;
 Effects of partial substitution of Mo(6+) by Cr(6+) and W(6+) on the
 crystal structure of the fast oxide-ion conductor structural effects of
 W(6+)
;
_journal_name_full               'Chemistry of Materials (1,1989-)'
_journal_page_first              4678
_journal_page_last               4684
_journal_volume                  17
_journal_year                    2005
_chemical_formula_sum            'Cr0.2 La2 Mo1.8 O8.9'
_chemical_name_systematic        'La2 Mo1.8 Cr0.2 O8.90'
_space_group_IT_number           198
_symmetry_space_group_name_Hall  'P 2ac 2ab 3'
_symmetry_space_group_name_H-M   'P 21 3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   7.1463
_cell_length_b                   7.1463
_cell_length_c                   7.1463
_cell_volume                     364.959
_citation_journal_id_ASTM        CMATEX
_cod_data_source_file            Corbel_CMATEX_2005_1064.cif
_cod_data_source_block           Cr0.2La2Mo1.8O8.9
_cod_original_cell_volume        364.9587
_cod_database_code               4002374
Effects of partial substitution of Mo(6+) by Cr(6+) and W(6+) on the crystal structure of the fast oxide-ion conductor structural effects of W(6+)
Corbel, G.; Goutenoire, F.; Laligant, Y.; Suard, E.; Lacorre, P.; Chemistry of Materials (1,1989-) 17 (2005) 4678–4684; doi:

data_4002375
_publ_section_title
;
 Effects of partial substitution of Mo(6+) by Cr(6+) and W(6+) on the
 crystal structure of the fast oxide-ion conductor structural effects of
 W(6+)
;
_journal_name_full               'Chemistry of Materials (1,1989-)'
_journal_page_first              4678
_journal_page_last               4684
_journal_volume                  17
_journal_year                    2005
_chemical_formula_sum            'Cr0.5 La2 Mo1.5 O8.96'
_chemical_name_systematic        'La2 Mo1.5 Cr0.5 O8.96'
_space_group_IT_number           198
_symmetry_space_group_name_Hall  'P 2ac 2ab 3'
_symmetry_space_group_name_H-M   'P 21 3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   7.1389
_cell_length_b                   7.1389
_cell_length_c                   7.1389
_cell_volume                     363.826
_citation_journal_id_ASTM        CMATEX
_cod_data_source_file            Corbel_CMATEX_2005_1065.cif
_cod_data_source_block           Cr0.5La2Mo1.5O8.96
_cod_original_cell_volume        363.8261
_cod_database_code               4002375
Mangan(III)-formiat: ein dreidimenionales Netzwerk, das Kohlendioxidmolekuele einschliesst
Cornia, A.; Caneschi, A.; Fabretti, A.C.; Dapporto, P.; Sessoli, R.; Malavasi, W.; Gatteschi, D.; Sangregorio, C.; Angewandte Chemie (German Edition) 111 (1999) 1897–1899; doi:

data_1528419
_publ_section_title
;
 Mangan(III)-formiat: ein dreidimenionales Netzwerk, das
 Kohlendioxidmolekuele einschliesst
;
_journal_name_full               'Angewandte Chemie (German Edition)'
_journal_page_first              1897
_journal_page_last               1899
_journal_volume                  111
_journal_year                    1999
_chemical_formula_sum            'C3.75 H3 Mn O7.5'
_chemical_name_systematic        'Mn (H C O O)3 (C O2)0.75'
_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            8
_cell_length_a                   11.736
_cell_length_b                   11.736
_cell_length_c                   11.736
_cell_volume                     1616.443
_citation_journal_id_ASTM        ANCEAD
_cod_data_source_file            Cornia_ANCEAD_1999_1028.cif
_cod_data_source_block           C3.75H3Mn1O7.5
_cod_original_formula_sum        'C3.75 H3 Mn1 O7.5'
_cod_database_code               1528419
La8 Ru4 O21: A mixed-valence ternary ruthenium oxide of a new hexagonal structure type
Cotton, F.A.; Rice, C.E.; Journal of Solid State Chemistry 24 (1978) 359–365; doi:

data_1528420
_publ_section_title
;
 La8 Ru4 O21: A mixed-valence ternary ruthenium oxide of a new hexagonal
 structure type
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              359
_journal_page_last               365
_journal_volume                  24
_journal_year                    1978
_chemical_formula_sum            'La8 O21 Ru4'
_chemical_name_systematic        'La8 Ru4 O21'
_space_group_IT_number           185
_symmetry_space_group_name_Hall  'P 6c -2'
_symmetry_space_group_name_H-M   'P 63 c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   9.885
_cell_length_b                   9.885
_cell_length_c                   10.805
_cell_volume                     914.342
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Cotton_JSSCBI_1978_171.cif
_cod_data_source_block           La8O21Ru4
_cod_original_cell_volume        914.3422
_cod_database_code               1528420
The crystal structure of Li3 Th F7
Cousson, A.; Pages, M.; Chevalier, R.; Acta Crystallographica B (24,1968-38,1982) 34 (1978) 1776–1778; doi:

data_2106494
_publ_section_title
;
 The crystal structure of Li3 Th F7
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              1776
_journal_page_last               1778
_journal_volume                  34
_journal_year                    1978
_chemical_formula_sum            'F7 Li3 Th'
_chemical_name_systematic        'Li3 Th F7'
_space_group_IT_number           130
_symmetry_space_group_name_Hall  '-P 4a 2ac'
_symmetry_space_group_name_H-M   'P 4/n c c :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.206
_cell_length_b                   6.206
_cell_length_c                   12.94
_cell_volume                     498.377
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            Cousson_ACBCAR_1978_1101.cif
_cod_data_source_block           F7Li3Th1
_cod_original_cell_volume        498.3768
_cod_original_formula_sum        'F7 Li3 Th1'
_cod_database_code               2106494
Some ternary thallium chalcogenides
Crevecoeur, C.; Acta Crystallographica (1,1948-23,1967) 17 (1964) 757–757; doi:

data_2310548
_publ_section_title
;
 Some ternary thallium chalcogenides
;
_journal_name_full               'Acta Crystallographica (1,1948-23,1967)'
_journal_page_first              757
_journal_page_last               757
_journal_volume                  17
_journal_year                    1964
_chemical_formula_sum            'S4 Ta Tl3'
_chemical_name_systematic        'Tl3 Ta S4'
_space_group_IT_number           217
_symmetry_space_group_name_Hall  'I -4 2 3'
_symmetry_space_group_name_H-M   'I -4 3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   7.67
_cell_length_b                   7.67
_cell_length_c                   7.67
_cell_volume                     451.218
_citation_journal_id_ASTM        ACCRA9
_cod_data_source_file            Crevecoeur_ACCRA9_1964_152.cif
_cod_data_source_block           S4Ta1Tl3
_cod_original_cell_volume        451.2177
_cod_original_formula_sum        'S4 Ta1 Tl3'
_cod_database_code               2310548
Plutonium-Osmium my-Pu19 Os
Cromer, D.T.; Acta Crystallographica B (24,1968-38,1982) 34 (1978) 913–915; doi:

data_2106495
_publ_section_title
;
 Plutonium-Osmium my-Pu19 Os
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              913
_journal_page_last               915
_journal_volume                  34
_journal_year                    1978
_chemical_formula_sum            Pu19
_chemical_name_systematic        'Pu19 Os'
_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            2
_cell_length_a                   5.345
_cell_length_b                   14.884
_cell_length_c                   10.898
_cell_volume                     866.990
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            Cromer_ACBCAR_1978_384.cif
_cod_data_source_block           Pu19
_cod_original_cell_volume        866.9901
_cod_database_code               2106495
The Crystal Structure of Ce (I O3)4
Cromer, D.T.; Larson, A.C.; Acta Crystallographica (1,1948-23,1967) 9 (1956) 1015–1018; doi:

data_2310549
_publ_section_title
;
 The Crystal Structure of Ce (I O3)4
;
_journal_name_full               'Acta Crystallographica (1,1948-23,1967)'
_journal_page_first              1015
_journal_page_last               1018
_journal_volume                  9
_journal_year                    1956
_chemical_formula_sum            'Ce I4 O12'
_chemical_name_systematic        'Ce (I O3)4'
_space_group_IT_number           86
_symmetry_space_group_name_Hall  'P 4n -1n'
_symmetry_space_group_name_H-M   'P 42/n :1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   9.9
_cell_length_b                   9.9
_cell_length_c                   5.32
_cell_volume                     521.413
_citation_journal_id_ASTM        ACCRA9
_cod_data_source_file            Cromer_ACCRA9_1956_214.cif
_cod_data_source_block           Ce1I4O12
_cod_original_cell_volume        521.4131
_cod_original_sg_symbol_Hall     '-P 4bc (x+1/4,y+1/4,z+1/4)'
_cod_original_formula_sum        'Ce1 I4 O12'
_cod_database_code               2310549
The crystal structure of U Mo C2
Cromer, D.T.; Larson, A.C.; Roof, R.B.jr.; Acta Crystallographica (1,1948-23,1967) 17 (1964) 272–276; doi:

data_2310550
_publ_section_title
;
 The crystal structure of U Mo C2
;
_journal_name_full               'Acta Crystallographica (1,1948-23,1967)'
_journal_page_first              272
_journal_page_last               276
_journal_volume                  17
_journal_year                    1964
_chemical_formula_sum            'C2 Mo U'
_chemical_name_systematic        'U Mo C2'
_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                   5.625
_cell_length_b                   3.249
_cell_length_c                   10.98
_cell_volume                     200.666
_citation_journal_id_ASTM        ACCRA9
_cod_data_source_file            Cromer_ACCRA9_1964_136.cif
_cod_data_source_block           C2Mo1U1
_cod_original_cell_volume        200.6664
_cod_original_formula_sum        'C2 Mo1 U1'
_cod_database_code               2310550
The Crystal Structure of Pu5 Si3
Cromer, D.T.; Larson, A.C.; Roof, R.B.jr.; Acta Crystallographica (1,1948-23,1967) 17 (1964) 947–950; doi:

data_2310551
_publ_section_title
;
 The Crystal Structure of Pu5 Si3
;
_journal_name_full               'Acta Crystallographica (1,1948-23,1967)'
_journal_page_first              947
_journal_page_last               950
_journal_volume                  17
_journal_year                    1964
_chemical_formula_sum            'Pu5 Si3'
_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                   11.409
_cell_length_b                   11.409
_cell_length_c                   5.448
_cell_volume                     709.140
_citation_journal_id_ASTM        ACCRA9
_cod_data_source_file            Cromer_ACCRA9_1964_160.cif
_cod_data_source_block           Pu5Si3
_cod_original_cell_volume        709.1405
_cod_database_code               2310551
Dehydration dynamics of epistilbite by in situ time resolved synchrotron powder diffraction
Cruciani, G.; Martucci, A.; Meneghini, C.; European Journal of Mineralogy (1,1989-) 15 (2003) 257–266; doi:

data_1528421
_publ_section_title
;
 Dehydration dynamics of epistilbite by in situ time resolved synchrotron
 powder diffraction
;
_journal_name_full               'European Journal of Mineralogy (1,1989-)'
_journal_page_first              257
_journal_page_last               266
_journal_volume                  15
_journal_year                    2003
_chemical_formula_sum            'Al0.726 Ca0.375 H3.44 O7.72 Si2.274'
_chemical_name_systematic        'Ca0.375 (Al0.726 Si2.274) O6 (H2 O)1.72'
_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                 124.607
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   9.1014
_cell_length_b                   17.7326
_cell_length_c                   10.2378
_cell_volume                     1359.948
_citation_journal_id_ASTM        EJMIER
_cod_data_source_file            Cruciani_EJMIER_2003_904.cif
_cod_data_source_block           H3.44Al0.726Ca0.375O7.72Si2.274
_cod_original_formula_sum        'H3.44 Al0.726 Ca0.375 O7.72 Si2.274'
_cod_database_code               1528421
Refinements of structures containing bonds between Si, P, S or Cl and O or N.
Cruickshank, D.W.J.; Acta Crystallographica (1,1948-23,1967) 17 (1964) 672–673; doi:

data_2310552
_publ_section_title
;
 Refinements of structures containing bonds between Si, P, S or Cl and O
 or N.
;
_journal_name_full               'Acta Crystallographica (1,1948-23,1967)'
_journal_page_first              672
_journal_page_last               673
_journal_volume                  17
_journal_year                    1964
_chemical_formula_sum            'H20 Na4 O17 P2'
_chemical_name_systematic        'Na4 (P2 O7) (H2 O)10'
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-I 2yc'
_symmetry_space_group_name_H-M   'I 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 118.52
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   17.93
_cell_length_b                   6.96
_cell_length_c                   14.85
_cell_volume                     1628.291
_citation_journal_id_ASTM        ACCRA9
_cod_data_source_file            Cruickshank_ACCRA9_1964_146.cif
_cod_data_source_block           H20Na4O17P2
_cod_original_cell_volume        1628.292
_cod_original_sg_symbol_Hall     '-C 2yc (x,y,-x+z)'
_cod_database_code               2310552
Refinements of structures containing bonds between Si, P, S or Cl and O or N. III. Na5 P3 O10, phase II
Cruickshank, D.W.J.; Acta Crystallographica (1,1948-23,1967) 17 (1964) 674–675; doi:

data_2310553
_publ_section_title
;
 Refinements of structures containing bonds between Si, P, S or Cl and O
 or N. III. Na5 P3 O10, phase II
;
_journal_name_full               'Acta Crystallographica (1,1948-23,1967)'
_journal_page_first              674
_journal_page_last               675
_journal_volume                  17
_journal_year                    1964
_chemical_formula_sum            'Na5 O10 P3'
_chemical_name_systematic        'Na5 (P3 O10)'
_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                 93
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   16
_cell_length_b                   5.24
_cell_length_c                   11.25
_cell_volume                     941.907
_citation_journal_id_ASTM        ACCRA9
_cod_data_source_file            Cruickshank_ACCRA9_1964_147.cif
_cod_data_source_block           Na5O10P3
_cod_original_cell_volume        941.9073
_cod_database_code               2310553