LMucko/crystallography-open-database huggingface dataset:
An X-ray study of the crystal structures of titanium silicides and germanides
Ageev, N.V.; Samsonov, V.P.; Zhurnal Neorganicheskoi Khimii 4 (1959) 1590–1593; doi:

data_1539473
_publ_section_title
;
 An X-ray study of the crystal structures of titanium silicides and
 germanides
;
_journal_name_full               'Zhurnal Neorganicheskoi Khimii'
_journal_page_first              1590
_journal_page_last               1593
_journal_volume                  4
_journal_year                    1959
_chemical_formula_sum            'Si Ti'
_chemical_name_systematic        'Ti Si'
_space_group_IT_number           25
_symmetry_space_group_name_Hall  'P 2 -2'
_symmetry_space_group_name_H-M   'P m m 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   3.618
_cell_length_b                   6.492
_cell_length_c                   4.973
_cell_volume                     116.806
_citation_journal_id_ASTM        ZNOKAQ
_cod_data_source_file            Ageev_ZNOKAQ_1959_11.cif
_cod_data_source_block           Si1Ti1
_cod_original_cell_volume        116.8061
_cod_original_formula_sum        'Si1 Ti1'
_cod_database_code               1539473
Der Isotopeneffekt beim Austausch von Wasserstoff durch Deuterium in festem Schwefel- und Selen-Wasserstoff
Vegard, L.; Sinding-Oseroed, L.; Avhandlinger utgitt av det Norske Videnskap-Akademi i Oslo, Matematisk-Naturvidenskapelig Klasse 1942 (1942) 1–20; doi:

data_1539474
_publ_section_title
;
 Der Isotopeneffekt beim Austausch von Wasserstoff durch Deuterium in
 festem Schwefel- und Selen-Wasserstoff
;
_journal_name_full
;
Avhandlinger utgitt av det Norske Videnskap-Akademi i Oslo, 
Matematisk-Naturvidenskapelig Klasse
;
_journal_page_first              1
_journal_page_last               20
_journal_volume                  1942
_journal_year                    1942
_chemical_formula_sum            'D2 S'
_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                   5.712
_cell_length_b                   5.712
_cell_length_c                   5.712
_cell_volume                     186.365
_citation_journal_id_ASTM        AUNVAW
_cod_data_source_file            Vegard_AUNVAW_1942_128.cif
_cod_data_source_block           D2S1
_cod_original_cell_volume        186.3651
_cod_original_formula_sum        'D2 S1'
_cod_database_code               1539474
Study of the phase transformation and structure of a-Ge Te
Zhukova, T.B.; Zaslavskii, A.I.; Soviet Physics, Crystallography (= Kristallografiya) 12 (1967) 28–32; doi:

data_1539475
_publ_section_title
;
 Study of the phase transformation and structure of a-Ge Te
;
_journal_name_full
'Soviet Physics, Crystallography (= Kristallografiya)'
_journal_page_first              28
_journal_page_last               32
_journal_volume                  12
_journal_year                    1967
_chemical_formula_sum            'Ge Te'
_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                   6.0121
_cell_length_b                   6.0121
_cell_length_c                   6.0121
_cell_volume                     217.309
_citation_journal_id_ASTM        SPHCA6
_cod_data_source_file            Zhukova_SPHCA6_1967_57.cif
_cod_data_source_block           Ge1Te1
_cod_original_cell_volume        217.3095
_cod_original_formula_sum        'Ge1 Te1'
_cod_database_code               1539475
Lattice constants and melting points of actinide - group IVA-VIA compounds with NaCl-type structures
Sondermann, U.; Zeitschrift fuer Angewandte Physik 30 (1970) 41–45; doi:

data_1539476
_publ_section_title
;
 Lattice constants and melting points of actinide - group IVA-VIA
 compounds with NaCl-type structures
;
_journal_name_full               'Zeitschrift fuer Angewandte Physik'
_journal_page_first              41
_journal_page_last               45
_journal_volume                  30
_journal_year                    1970
_chemical_formula_sum            'Mn Te2 V'
_chemical_name_systematic        'Mn V Te2'
_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            1
_cell_length_a                   4.108
_cell_length_b                   4.108
_cell_length_c                   6.4
_cell_volume                     93.534
_citation_journal_id_ASTM        ZAPHAX
_cod_data_source_file            Sondermann_ZAPHAX_1970_680.cif
_cod_data_source_block           Mn1Te2V1
_cod_original_cell_volume        93.53442
_cod_original_formula_sum        'Mn1 Te2 V1'
_cod_database_code               1539476
Neutron diffraction studies of the Zr3P-D system
Ahlzen, P.J.; Rundqvist, S.; Andersson, Y.; Tellgren, R.; Journal of the Less-Common Metals 170 (1991) 263–270; doi:

data_1539477
_publ_section_title
;
 Neutron diffraction studies of the Zr3P-D system
;
_journal_name_full               'Journal of the Less-Common Metals'
_journal_page_first              263
_journal_page_last               270
_journal_volume                  170
_journal_year                    1991
_chemical_formula_sum            'D1.333 P7.998 Zr23.994'
_chemical_name_systematic        '(Zr18 D P6)1.333'
_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            1
_cell_length_a                   10.8146
_cell_length_b                   10.8146
_cell_length_c                   5.3741
_cell_volume                     628.531
_citation_journal_id_ASTM        JCOMAH
_cod_data_source_file            Ahlzen_JCOMAH_1991_619.cif
_cod_data_source_block           D1.333P7.998Zr23.994
_cod_original_cell_volume        628.5309
_cod_original_sg_symbol_Hall     '-P 4bc (x+1/4,y+1/4,z+1/4)'
_cod_database_code               1539477
Der Isotopeneffekt beim Austausch von Wasserstoff durch Deuterium in festem Schwefel- und Selen-Wasserstoff
Vegard, L.; Sinding-Oseroed, L.; Avhandlinger utgitt av det Norske Videnskap-Akademi i Oslo, Matematisk-Naturvidenskapelig Klasse 1942 (1942) 1–20; doi:

data_1539478
_publ_section_title
;
 Der Isotopeneffekt beim Austausch von Wasserstoff durch Deuterium in
 festem Schwefel- und Selen-Wasserstoff
;
_journal_name_full
;
Avhandlinger utgitt av det Norske Videnskap-Akademi i Oslo, 
Matematisk-Naturvidenskapelig Klasse
;
_journal_page_first              1
_journal_page_last               20
_journal_volume                  1942
_journal_year                    1942
_chemical_formula_sum            'H2 Se'
_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                   6.024
_cell_length_b                   6.024
_cell_length_c                   6.024
_cell_volume                     218.602
_citation_journal_id_ASTM        AUNVAW
_cod_data_source_file            Vegard_AUNVAW_1942_129.cif
_cod_data_source_block           H2Se1
_cod_original_cell_volume        218.6024
_cod_original_formula_sum        'H2 Se1'
_cod_database_code               1539478
Investigation of ternary solid solutions on the basis of superconducting compounds
Zhuravlev, N.N.; Smirnova, Ye.M.; Zhdanov, G.S.; Physics of Metals and Metallography 13 (1962) 55–61; doi:

data_1539479
_publ_section_title
;
 Investigation of ternary solid solutions on the basis of superconducting
 compounds
;
_journal_name_full               'Physics of Metals and Metallography'
_journal_page_first              55
_journal_page_last               61
_journal_volume                  13
_journal_year                    1962
_chemical_formula_sum            'Pb Pt'
_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                   4.26
_cell_length_b                   4.26
_cell_length_c                   5.47
_cell_volume                     85.968
_citation_journal_id_ASTM        PHMMA6
_cod_data_source_file            Zhuravlev_PHMMA6_1962_1321.cif
_cod_data_source_block           Pb1Pt1
_cod_original_cell_volume        85.96807
_cod_original_formula_sum        'Pb1 Pt1'
_cod_database_code               1539479
Etude structurale de la forme basse temperature de N H4 Sn2 F5 (type gamma)
Soufiane, A.; Vilminot, S.; Cot, L.; Zeitschrift fuer Anorganische und Allgemeine Chemie 556 (1988) 233–239; doi:

data_1539480
_publ_section_title
;
 Etude structurale de la forme basse temperature de N H4 Sn2 F5 (type
 gamma)
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              233
_journal_page_last               239
_journal_volume                  556
_journal_year                    1988
_chemical_formula_sum            'F4.47 H1.68 N0.42 Sn1.68'
_chemical_name_systematic        '(N H4).42 Sn1.68 F4.47'
_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                 103.5
_cell_angle_gamma                90
_cell_formula_units_Z            6
_cell_length_a                   7.361
_cell_length_b                   12.752
_cell_length_c                   10.492
_cell_volume                     957.646
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Soufiane_ZAACAB_1988_1959.cif
_cod_data_source_block           H1.68F4.47N0.42Sn1.68
_cod_original_cell_volume        957.6458
_cod_original_formula_sum        'H1.68 F4.47 N0.42 Sn1.68'
_cod_database_code               1539480
Neutron diffraction studies of the Zr3P-D system
Ahlzen, P.J.; Andersson, Y.; Rundqvist, S.; Tellgren, R.; Journal of the Less-Common Metals 170 (1991) 263–270; doi:

data_1539481
_publ_section_title
;
 Neutron diffraction studies of the Zr3P-D system
;
_journal_name_full               'Journal of the Less-Common Metals'
_journal_page_first              263
_journal_page_last               270
_journal_volume                  170
_journal_year                    1991
_chemical_formula_sum            'D P Zr3'
_chemical_name_systematic        'Zr3 D P'
_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            8
_cell_length_a                   10.863
_cell_length_b                   10.863
_cell_length_c                   5.4347
_cell_volume                     641.321
_citation_journal_id_ASTM        JCOMAH
_cod_data_source_file            Ahlzen_JCOMAH_1991_620.cif
_cod_data_source_block           D1P1Zr3
_cod_original_cell_volume        641.3205
_cod_original_sg_symbol_Hall     '-P 4bc (x+1/4,y+1/4,z+1/4)'
_cod_original_formula_sum        'D1 P1 Zr3'
_cod_database_code               1539481
Der Isotopeneffekt beim Austausch von Wasserstoff durch Deuterium in festem Schwefel- und Selen-Wasserstoff
Vegard, L.; Sinding-Oseroed, L.; Avhandlinger utgitt av det Norske Videnskap-Akademi i Oslo, Matematisk-Naturvidenskapelig Klasse 1942 (1942) 1–20; doi:

data_1539482
_publ_section_title
;
 Der Isotopeneffekt beim Austausch von Wasserstoff durch Deuterium in
 festem Schwefel- und Selen-Wasserstoff
;
_journal_name_full
;
Avhandlinger utgitt av det Norske Videnskap-Akademi i Oslo, 
Matematisk-Naturvidenskapelig Klasse
;
_journal_page_first              1
_journal_page_last               20
_journal_volume                  1942
_journal_year                    1942
_chemical_formula_sum            'D2 Se'
_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                   5.973
_cell_length_b                   5.973
_cell_length_c                   5.973
_cell_volume                     213.097
_citation_journal_id_ASTM        AUNVAW
_cod_data_source_file            Vegard_AUNVAW_1942_130.cif
_cod_data_source_block           D2Se1
_cod_original_cell_volume        213.0971
_cod_original_formula_sum        'D2 Se1'
_cod_database_code               1539482
Investigation of ternary solid solutions on the basis of superconducting compounds
Zhuravlev, N.N.; Zhdanov, G.S.; Smirnova, Ye.M.; Physics of Metals and Metallography 13 (1962) 55–61; doi:

data_1539483
_publ_section_title
;
 Investigation of ternary solid solutions on the basis of superconducting
 compounds
;
_journal_name_full               'Physics of Metals and Metallography'
_journal_page_first              55
_journal_page_last               61
_journal_volume                  13
_journal_year                    1962
_chemical_formula_sum            'Pd Sb'
_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                   4.04
_cell_length_b                   4.04
_cell_length_c                   5.52
_cell_volume                     78.025
_citation_journal_id_ASTM        PHMMA6
_cod_data_source_file            Zhuravlev_PHMMA6_1962_1390.cif
_cod_data_source_block           Pd1Sb1
_cod_original_cell_volume        78.02476
_cod_original_formula_sum        'Pd1 Sb1'
_cod_database_code               1539483
No3. Systemes Yb Se - L2 Se3
Souleau, C.; Laruelle, P.; Guittard, M.; Bulletin de la Societe Chimique de France (Vol=Year) 1 (1969) 9–14; doi:

data_1539484
_publ_section_title
;
 No3. Systemes Yb Se - L2 Se3
;
_journal_name_full
'Bulletin de la Societe Chimique de France (Vol=Year)'
_journal_page_first              9
_journal_page_last               14
_journal_volume                  1
_journal_year                    1969
_chemical_formula_sum            'Se4 Yb3'
_chemical_name_systematic        'Yb3 Se4'
_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                   13.28
_cell_length_b                   3.99
_cell_length_c                   13.55
_cell_volume                     717.977
_citation_journal_id_ASTM        BSCFAS
_cod_data_source_file            Souleau_BSCFAS_1969_1971.cif
_cod_data_source_block           Se4Yb3
_cod_original_cell_volume        717.9766
_cod_database_code               1539484
Neutron diffraction studies of deuterated Ti3 P
Ahlzen, P.J.; Rundqvist, S.; Andersson, Y.; Tellgren, R.; Journal of the Less-Common Metals 172 (1991) 206–212; doi:

data_1539485
_publ_section_title
;
 Neutron diffraction studies of deuterated Ti3 P
;
_journal_name_full               'Journal of the Less-Common Metals'
_journal_page_first              206
_journal_page_last               212
_journal_volume                  172
_journal_year                    1991
_chemical_formula_sum            'D P Ti3'
_chemical_name_systematic        'Ti3 D P'
_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            8
_cell_length_a                   10.0139
_cell_length_b                   10.0139
_cell_length_c                   5.0349
_cell_volume                     504.891
_citation_journal_id_ASTM        JCOMAH
_cod_data_source_file            Ahlzen_JCOMAH_1991_622.cif
_cod_data_source_block           D1P1Ti3
_cod_original_cell_volume        504.8907
_cod_original_sg_symbol_Hall     '-P 4bc (x+1/4,y+1/4,z+1/4)'
_cod_original_formula_sum        'D1 P1 Ti3'
_cod_database_code               1539485
Etude structurale de Ca5 Ga2 As6
Verdier, P.; l'Haridon, P.; Laurent, Y.; Maunaye, M.; Acta Crystallographica B (24,1968-38,1982) 32 (1976) 726–728; doi:

data_2107209
_publ_section_title
;
 Etude structurale de Ca5 Ga2 As6
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              726
_journal_page_last               728
_journal_volume                  32
_journal_year                    1976
_chemical_formula_sum            'As6 Ca5 Ga2'
_chemical_name_systematic        'Ca5 ((As2) (Ga As2)2)'
_space_group_IT_number           55
_symmetry_space_group_name_Hall  '-P 2 2ab'
_symmetry_space_group_name_H-M   'P b a m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   13.224
_cell_length_b                   11.357
_cell_length_c                   4.138
_cell_volume                     621.465
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            Verdier_ACBCAR_1976_1609.cif
_cod_data_source_block           As6Ca5Ga2
_cod_original_cell_volume        621.4654
_cod_database_code               2107209
Investigation of ternary solid solutions on the basis of superconducting compounds
Zhuravlev, N.N.; Zhdanov, G.S.; Smirnova, Ye.M.; Physics of Metals and Metallography 13 (1962) 55–61; doi:

data_1539486
_publ_section_title
;
 Investigation of ternary solid solutions on the basis of superconducting
 compounds
;
_journal_name_full               'Physics of Metals and Metallography'
_journal_page_first              55
_journal_page_last               61
_journal_volume                  13
_journal_year                    1962
_chemical_formula_sum            'Pt Sb'
_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                   4.12
_cell_length_b                   4.12
_cell_length_c                   5.47
_cell_volume                     80.410
_citation_journal_id_ASTM        PHMMA6
_cod_data_source_file            Zhuravlev_PHMMA6_1962_1516.cif
_cod_data_source_block           Pt1Sb1
_cod_original_cell_volume        80.41042
_cod_original_formula_sum        'Pt1 Sb1'
_cod_database_code               1539486
Sur les systemes formes entre le seleniure d'ytterbium divalent Yb Se et les seleniures de terres rares L2 Se3
Souleau, C.; Guittard, M.; Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, Serie C, Sciences Chimiques (1966-) 265 (1967) 730–733; doi:

data_1539487
_publ_section_title
;
 Sur les systemes formes entre le seleniure d'ytterbium divalent Yb Se et
 les seleniures de terres rares L2 Se3
;
_journal_name_full
;
Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, Serie C, 
Sciences Chimiques (1966-)
;
_journal_page_first              730
_journal_page_last               733
_journal_volume                  265
_journal_year                    1967
_chemical_formula_sum            'Se Yb'
_chemical_name_systematic        'Yb Se'
_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                   5.932
_cell_length_b                   5.932
_cell_length_c                   5.932
_cell_volume                     208.739
_citation_journal_id_ASTM        CHDCAQ
_cod_data_source_file            Souleau_CHDCAQ_1967_1972.cif
_cod_data_source_block           Se1Yb1
_cod_original_cell_volume        208.7389
_cod_original_formula_sum        'Se1 Yb1'
_cod_database_code               1539487
Lattice parameters and thermal expansion of Ti (Cx N1-x), Z r(Cx N1-x), Hf (Cx N1-x) and Ti N1-x from 298 to 1473 K as investigated by high-temperature X-ray diffraction
Aigner, K.; Lengauer, W.; Rafaja, D.; Ettmayer, P.; Journal of Alloys Compd. 215 (1994) 121–126; doi:

data_1539488
_publ_section_title
;
 Lattice parameters and thermal expansion of Ti (Cx N1-x), Z r(Cx N1-x),
 Hf (Cx N1-x) and Ti N1-x from 298 to 1473 K as investigated by
 high-temperature X-ray diffraction
;
_journal_name_full               'Journal of Alloys Compd.'
_journal_page_first              121
_journal_page_last               126
_journal_volume                  215
_journal_year                    1994
_chemical_formula_sum            'N Zr'
_chemical_name_systematic        'Zr N'
_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                   4.6
_cell_length_b                   4.6
_cell_length_c                   4.6
_cell_volume                     97.336
_citation_journal_id_ASTM        JALCEU
_cod_data_source_file            Aigner_JALCEU_1994_1003.cif
_cod_data_source_block           N1Zr1
_cod_original_cell_volume        97.33599
_cod_original_formula_sum        'N1 Zr1'
_cod_database_code               1539488
Ueber Oxocadmate der Alkalimetalle (I)
Vielhaber, E.; Hoppe, R.; Revue de Chimie Minerale 6 (1969) 169–181; doi:

data_1539489
_publ_section_title
;
 Ueber Oxocadmate der Alkalimetalle (I)
;
_journal_name_full               'Revue de Chimie Minerale'
_journal_page_first              169
_journal_page_last               181
_journal_volume                  6
_journal_year                    1969
_chemical_formula_sum            'Cd Na2 O2'
_chemical_name_systematic        'Na2 Cd O2'
_space_group_IT_number           206
_symmetry_space_group_name_Hall  '-I 2b 2c 3'
_symmetry_space_group_name_H-M   'I a -3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            16
_cell_length_a                   10.715
_cell_length_b                   10.715
_cell_length_c                   10.715
_cell_volume                     1230.202
_citation_journal_id_ASTM        RVCMA8
_cod_data_source_file            Vielhaber_RVCMA8_1969_115.cif
_cod_data_source_block           Cd1Na2O2
_cod_original_formula_sum        'Cd1 Na2 O2'
_cod_database_code               1539489