LMucko/crystallography-open-database huggingface dataset:
Structure of monoclinic sulphur-selenium Se3 S5
Calvo, C.; Ng, H.N.; Gillespie, R.J.; Vekris, J.E.; Acta Crystallographica B (24,1968-38,1982) 34 (1978) 911–912; doi:

data_2106271
_publ_section_title
;
 Structure of monoclinic sulphur-selenium Se3 S5
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              911
_journal_page_last               912
_journal_volume                  34
_journal_year                    1978
_chemical_formula_sum            'S4.98 Se3.02'
_chemical_name_systematic        'Se3.02 S4.98'
_space_group_IT_number           13
_symmetry_space_group_name_Hall  '-P 2yc'
_symmetry_space_group_name_H-M   'P 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 124.32
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.564
_cell_length_b                   13.354
_cell_length_c                   9.368
_cell_volume                     884.837
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            Calvo_ACBCAR_1978_1398.cif
_cod_data_source_block           S4.98Se3.02
_cod_original_cell_volume        884.8369
_cod_database_code               2106271
Preparation and structure of a ternary oxide of barium and rhenium, Ba3 Re2-x O9
Calvo, C.; Ng, H.N.; Chamberland, B.L.; Inorganic Chemistry 17 (1978) 699–701; doi:

data_4343749
_publ_section_title
;
 Preparation and structure of a ternary oxide of barium and rhenium, Ba3
 Re2-x O9
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              699
_journal_page_last               701
_journal_volume                  17
_journal_year                    1978
_chemical_formula_sum            'Ba3 O9 Re1.96'
_chemical_name_systematic        'Ba3 Re1.96 O9'
_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                   5.7699
_cell_length_b                   5.7699
_cell_length_c                   20.799
_cell_volume                     599.666
_citation_journal_id_ASTM        INOCAJ
_cod_data_source_file            Calvo_INOCAJ_1978_1518.cif
_cod_data_source_block           Ba3O9Re1.96
_cod_original_cell_volume        599.6663
_cod_database_code               4343749
Stereochemical Analysis of Fe2 (C O)6 (Mue-Se2) : A Diselenium Analogue of Fe2 (C O)6 (Mue-S2)1
Campana, C.F.; Yip, K.L.F.; Dahl, L.F.; Inorganic Chemistry 18 (1979) 3060–3064; doi:

data_4343750
_publ_section_title
;
 Stereochemical Analysis of Fe2 (C O)6 (Mue-Se2) : A Diselenium Analogue
 of Fe2 (C O)6 (Mue-S2)1
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              3060
_journal_page_last               3064
_journal_volume                  18
_journal_year                    1979
_chemical_formula_sum            'C6 Fe2 O6 Se2'
_chemical_name_systematic        'Fe2 (C O)6 (Se2)'
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                104.86
_cell_angle_beta                 102.28
_cell_angle_gamma                84.27
_cell_formula_units_Z            2
_cell_length_a                   7.704
_cell_length_b                   11.779
_cell_length_c                   6.585
_cell_volume                     563.709
_citation_journal_id_ASTM        INOCAJ
_cod_data_source_file            Campana_INOCAJ_1979_855.cif
_cod_data_source_block           C6Fe2O6Se2
_cod_original_cell_volume        563.7091
_cod_database_code               4343750
Structural study of Zr (Cr1-x Fex)2 Dy (x=0.4-0.75; y=2-3) by means of neutron powder diffraction
Canet, O.; Latroche, M.; Bouree-Vigneron, F.; Percheron-Guegan, A.; Journal of Alloys Compd. 210 (1994) 129–134; doi:

data_1527208
_publ_section_title
;
 Structural study of Zr (Cr1-x Fex)2 Dy (x=0.4-0.75; y=2-3) by means of
 neutron powder diffraction
;
_journal_name_full               'Journal of Alloys Compd.'
_journal_page_first              129
_journal_page_last               134
_journal_volume                  210
_journal_year                    1994
_chemical_formula_sum            'Cr0.8 Fe1.2 Zr'
_chemical_name_systematic        '(Cr0.4 Fe0.6)2 Zr'
_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            4
_cell_length_a                   5.019
_cell_length_b                   5.019
_cell_length_c                   8.226
_cell_volume                     179.454
_citation_journal_id_ASTM        JALCEU
_cod_data_source_file            Canet_JALCEU_1994_382.cif
_cod_data_source_block           Cr0.8Fe1.2Zr1
_cod_original_cell_volume        179.4542
_cod_original_formula_sum        'Cr0.8 Fe1.2 Zr1'
_cod_database_code               1527208
The crystal structure of leucophanite
Cannillo, E.; Giuseppetti, G.; Tazzoli, V.; Acta Crystallographica (1,1948-23,1967) 23 (1967) 255–259; doi:

data_2310362
_publ_section_title
;
 The crystal structure of leucophanite
;
_journal_name_full               'Acta Crystallographica (1,1948-23,1967)'
_journal_page_first              255
_journal_page_last               259
_journal_volume                  23
_journal_year                    1967
_chemical_formula_sum            'Be Ca F Na O6 Si2'
_chemical_name_systematic        'Ca Na (Be Si2 O6) F'
_space_group_IT_number           19
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.401
_cell_length_b                   7.42
_cell_length_c                   9.939
_cell_volume                     545.804
_citation_journal_id_ASTM        ACCRA9
_cod_data_source_file            Cannillo_ACCRA9_1967_1376.cif
_cod_data_source_block           Be1Ca1F1Na1O6Si2
_cod_original_cell_volume        545.8044
_cod_original_formula_sum        'Be1 Ca1 F1 Na1 O6 Si2'
_cod_database_code               2310362
Crystal structure of disodium trans-disulphitodiamminepalladate(II) hexahydrate
Capparelli, M.V.; Becka, L.N.; Journal of the Chemical Society A: Inorganic, Physical, Theoretical (1966-1971) 1969 (1969) 260–265; doi:

data_1527209
_publ_section_title
;
 Crystal structure of disodium trans-disulphitodiamminepalladate(II)
 hexahydrate
;
_journal_name_full
;
Journal of the Chemical Society A: Inorganic, Physical, Theoretical (1966-1971)
;
_journal_page_first              260
_journal_page_last               265
_journal_volume                  1969
_journal_year                    1969
_chemical_formula_sum            'H18 N2 Na2 O12 Pd S2'
_chemical_name_systematic        'Na2 (Pd (S O3)2 (N H3)2) (H2 O)6'
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                73.5
_cell_angle_beta                 102.5
_cell_angle_gamma                81.6
_cell_formula_units_Z            1
_cell_length_a                   8.92
_cell_length_b                   6.52
_cell_length_c                   7.07
_cell_volume                     375.322
_citation_journal_id_ASTM        JCSIAP
_cod_data_source_file            Capparelli_JCSIAP_1969_1844.cif
_cod_data_source_block           H18N2Na2O12Pd1S2
_cod_original_cell_volume        375.3216
_cod_original_formula_sum        'H18 N2 Na2 O12 Pd1 S2'
_cod_database_code               1527209
Structure cristalline du gallate de lithium hexahydrate, Li Ga O2 (H2 O)6
Caranoni, C.; Capella, L.; Pepe, G.; Acta Crystallographica B (24,1968-38,1982) 34 (1978) 741–745; doi:

data_2106272
_publ_section_title
;
 Structure cristalline du gallate de lithium hexahydrate, Li Ga O2 (H2 O)6
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              741
_journal_page_last               745
_journal_volume                  34
_journal_year                    1978
_chemical_formula_sum            'Ga H12 Li O8'
_chemical_name_systematic        'Li Ga O2 (H2 O)6'
_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                 92.8
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   17.38
_cell_length_b                   6.394
_cell_length_c                   7.534
_cell_volume                     836.237
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            Caranoni_ACBCAR_1978_1304.cif
_cod_data_source_block           H12Ga1Li1O8
_cod_original_cell_volume        836.2366
_cod_original_formula_sum        'H12 Ga1 Li1 O8'
_cod_database_code               2106272
K21-x Na2+x In39 (x= 2.8): A cluster-replacement clathrate-II structure with an alkali metal M136-network
Carillo-Cabrera, W.; Carcoca-Canales, N.; von Schnering, H.G.; Zeitschrift fuer Anorganische und Allgemeine Chemie 620 (1994) 247–257; doi:

data_1527210
_publ_section_title
;
 K21-x Na2+x In39 (x= 2.8): A cluster-replacement clathrate-II structure
 with an alkali metal M136-network
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              247
_journal_page_last               257
_journal_volume                  620
_journal_year                    1994
_chemical_formula_sum            'In39 K18.2 Na4.8'
_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                   17.844
_cell_length_b                   17.1902
_cell_length_c                   25.078
_cell_volume                     7692.474
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Carillo-Cabrera_ZAACAB_1994_562.cif
_cod_data_source_block           In39K18.2Na4.8
_cod_database_code               1527210
The crystal structure of Nb4 As3
Carlsson, B.; Rundqvist, S.; Acta Chemica Scandinavica (1-27,1973-42,1988) 25 (1971) 1742–1752; doi:

data_1527211
_publ_section_title
;
 The crystal structure of Nb4 As3
;
_journal_name_full
'Acta Chemica Scandinavica (1-27,1973-42,1988)'
_journal_page_first              1742
_journal_page_last               1752
_journal_volume                  25
_journal_year                    1971
_chemical_formula_sum            'As3 Nb4'
_chemical_name_systematic        'Nb4 As3'
_space_group_IT_number           63
_symmetry_space_group_name_Hall  '-C 2c 2'
_symmetry_space_group_name_H-M   'C m c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   3.5161
_cell_length_b                   14.6605
_cell_length_c                   18.8303
_cell_volume                     970.660
_citation_journal_id_ASTM        ACSAA4
_cod_data_source_file            Carlsson_ACSAA4_1971_1195.cif
_cod_data_source_block           As3Nb4
_cod_original_cell_volume        970.6602
_cod_database_code               1527211
Disorder of (H P O4)2- and of hydrogen bonds in the structure of beta-Na2 H P O4 (H2 O)12
Catti, M.; Ferraris, G.; Ivaldi, G.; Acta Crystallographica B (24,1968-38,1982) 34 (1978) 369–373; doi:

data_2106273
_publ_section_title
;
 Disorder of (H P O4)2- and of hydrogen bonds in the structure of beta-Na2
 H P O4 (H2 O)12
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              369
_journal_page_last               373
_journal_volume                  34
_journal_year                    1978
_chemical_formula_sum            'H25 Na2 O16 P'
_chemical_name_systematic        'Na2 (H P O4) (H2 O)12'
_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                 121.39
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   15.718
_cell_length_b                   9.018
_cell_length_c                   12.769
_cell_volume                     1545.041
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            Catti_ACBCAR_1978_1074.cif
_cod_data_source_block           H25Na2O16P1
_cod_original_formula_sum        'H25 Na2 O16 P1'
_cod_database_code               2106273
The Crystal Structure of Monothiourea-cadmium Sulphate Dihydrate
Cavalca, L.; Domiano, P.; Gasparri, G.F.; Boldrini, P.; Acta Crystallographica (1,1948-23,1967) 22 (1967) 878–885; doi:

data_2310363
_publ_section_title
;
 The Crystal Structure of Monothiourea-cadmium Sulphate Dihydrate
;
_journal_name_full               'Acta Crystallographica (1,1948-23,1967)'
_journal_page_first              878
_journal_page_last               885
_journal_volume                  22
_journal_year                    1967
_chemical_formula_sum            'C H4 Cd N2 O6 S2'
_chemical_name_systematic        'Cd (S C (N H2)2) S O4 (H2 O)2'
_space_group_IT_number           61
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   13.461
_cell_length_b                   7.783
_cell_length_c                   15.967
_cell_volume                     1672.814
_citation_journal_id_ASTM        ACCRA9
_cod_data_source_file            Cavalca_ACCRA9_1967_1108.cif
_cod_data_source_block           C1Cd1H4N2O6S2
_cod_original_formula_sum        'C1 Cd1 H4 N2 O6 S2'
_cod_database_code               2310363
Refinement of the crystal structure of Hf2 Fe
Cekic, B.; Prelesnik, B.; Rodic, D.; Koicki, S.; Manasijevic, M.; Ivanovic, M.; Journal of the Less-Common Metals 171 (1991) 9–15; doi:

data_1527212
_publ_section_title
;
 Refinement of the crystal structure of Hf2 Fe
;
_journal_name_full               'Journal of the Less-Common Metals'
_journal_page_first              9
_journal_page_last               15
_journal_volume                  171
_journal_year                    1991
_chemical_formula_sum            'Fe Hf2'
_space_group_IT_number           227
_symmetry_space_group_name_Hall  'F 4d 2 3 -1d'
_symmetry_space_group_name_H-M   'F d -3 m :1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            32
_cell_length_a                   12.0246
_cell_length_b                   12.0246
_cell_length_c                   12.0246
_cell_volume                     1738.649
_citation_journal_id_ASTM        JCOMAH
_cod_data_source_file            Cekic_JCOMAH_1991_465.cif
_cod_data_source_block           Fe1Hf2
_cod_original_sg_symbol_Hall     '-F 4vw 2vw 3 (x+1/8,y+1/8,z+1/8)'
_cod_original_formula_sum        'Fe1 Hf2'
_cod_database_code               1527212
Structure cristalline du sulfure mixte de cerium et de bismuth Ce1.25 Bi3.78 S8
Ceolin, R.; Toffoli, P.; Khodadad, P.; Rodier, N.; Acta Crystallographica B (24,1968-38,1982) 33 (1977) 2804–2806; doi:

data_2106274
_publ_section_title
;
 Structure cristalline du sulfure mixte de cerium et de bismuth Ce1.25
 Bi3.78 S8
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              2804
_journal_page_last               2806
_journal_volume                  33
_journal_year                    1977
_chemical_formula_sum            'Bi3.78 Ce1.25 S8'
_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                   16.55
_cell_length_b                   4.053
_cell_length_c                   21.52
_cell_volume                     1443.500
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            Ceolin_ACBCAR_1977_609.cif
_cod_data_source_block           Bi3.78Ce1.25S8
_cod_original_cell_volume        1443.5
_cod_database_code               2106274
Cs3 Sb2 I9 and Cs3 Bi2 I9 with the hexagonal Cs3 Cr2 Cl9 structure type
Chabot, B.; Parthe, E.; Acta Crystallographica B (24,1968-38,1982) 34 (1978) 645–648; doi:

data_2106275
_publ_section_title
;
 Cs3 Sb2 I9 and Cs3 Bi2 I9 with the hexagonal Cs3 Cr2 Cl9 structure type
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              645
_journal_page_last               648
_journal_volume                  34
_journal_year                    1978
_chemical_formula_sum            'Bi2 Cs3 I9'
_chemical_name_systematic        'Cs3 (I3 (Bi I3)2)'
_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                   8.404
_cell_length_b                   8.404
_cell_length_c                   21.183
_cell_volume                     1295.657
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            Chabot_ACBCAR_1978_1130.cif
_cod_data_source_block           Bi2Cs3I9
_cod_original_cell_volume        1295.658
_cod_database_code               2106275
Trirhodium scandium heptasilicide and triiridium scandium heptasilicide with a new rhombohedral structure type
Chabot, B.; Engel, N.; Parthe, E.; Acta Crystallographica B (24,1968-38,1982) 37 (1981) 671–673; doi:

data_2106276
_publ_section_title
;
 Trirhodium scandium heptasilicide and triiridium scandium heptasilicide
 with a new rhombohedral structure type
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              671
_journal_page_last               673
_journal_volume                  37
_journal_year                    1981
_chemical_formula_sum            'Rh3 Sc Si7'
_space_group_IT_number           167
_symmetry_space_group_name_Hall  '-R 3 2"c'
_symmetry_space_group_name_H-M   'R -3 c :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            6
_cell_length_a                   7.5056
_cell_length_b                   7.5056
_cell_length_c                   19.691
_cell_volume                     960.659
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            Chabot_ACBCAR_1981_1325.cif
_cod_data_source_block           Rh3Sc1Si7
_cod_original_cell_volume        960.6589
_cod_original_formula_sum        'Rh3 Sc1 Si7'
_cod_database_code               2106276
Trirhodium scandium heptasilicide and triiridium scandium heptasilicide with a new rhomboedral structure type
Chabot, B.; Engel, N.; Parthe, E.; Acta Crystallographica B (24,1968-38,1982) 37 (1981) 671–673; doi:

data_2106277
_publ_section_title
;
 Trirhodium scandium heptasilicide and triiridium scandium heptasilicide
 with a new rhomboedral structure type
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              671
_journal_page_last               673
_journal_volume                  37
_journal_year                    1981
_chemical_formula_sum            'Ir3 Sc Si7'
_space_group_IT_number           167
_symmetry_space_group_name_Hall  '-R 3 2"c'
_symmetry_space_group_name_H-M   'R -3 c :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            6
_cell_length_a                   7.501
_cell_length_b                   7.501
_cell_length_c                   19.909
_cell_volume                     970.104
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            Chabot_ACBCAR_1981_1326.cif
_cod_data_source_block           Ir3Sc1Si7
_cod_original_cell_volume        970.1042
_cod_original_formula_sum        'Ir3 Sc1 Si7'
_cod_database_code               2106277
Rhodium scandium disilicide
Chabot, B.; Parthe, E.; Braun, H.F.; Yvon, K.; Acta Crystallographica B (24,1968-38,1982) 37 (1981) 668–671; doi:

data_2106278
_publ_section_title
;
 Rhodium scandium disilicide
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              668
_journal_page_last               671
_journal_volume                  37
_journal_year                    1981
_chemical_formula_sum            'Rh Sc Si2'
_chemical_name_systematic        'Sc Rh Si2'
_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                   6.292
_cell_length_b                   4.025
_cell_length_c                   9.517
_cell_volume                     241.021
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            Chabot_ACBCAR_1981_1328.cif
_cod_data_source_block           Rh1Sc1Si2
_cod_original_cell_volume        241.0209
_cod_original_formula_sum        'Rh1 Sc1 Si2'
_cod_database_code               2106278
Magnetic properties of Nd Mn6 Ge6 and Sm Mn6 Ge6 compounds from susceptibility measurements and neutron diffraction study
Chafik El Idrissi, B.; Ressouche, E.; Venturini, G.; Malaman, B.; Journal of Alloys Compd. 215 (1994) 187–193; doi:

data_1527213
_publ_section_title
;
 Magnetic properties of Nd Mn6 Ge6 and Sm Mn6 Ge6 compounds from
 susceptibility measurements and neutron diffraction study
;
_journal_name_full               'Journal of Alloys Compd.'
_journal_page_first              187
_journal_page_last               193
_journal_volume                  215
_journal_year                    1994
_chemical_formula_sum            'Ge3 Mn3 Nd0.5'
_chemical_name_systematic        'Ge3 Mn3 Nd.5'
_space_group_IT_number           191
_symmetry_space_group_name_Hall  '-P 6 2'
_symmetry_space_group_name_H-M   'P 6/m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   5.222
_cell_length_b                   5.222
_cell_length_c                   4.077
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