LMucko/crystallography-open-database huggingface dataset:
Fluoride crystal structures. Part 27. Seleninyl difluoride at -35 C
Dewan, J.C.; Edwards, A.J.; Journal of the Chemical Society. Dalton Transactions, Inorganic Chemistry (1972-) 1976 (1976) 2433–2435; doi:

data_4031233
_publ_section_title
;
 Fluoride crystal structures. Part 27. Seleninyl difluoride at -35 C
;
_journal_name_full
;
Journal of the Chemical Society. Dalton Transactions, Inorganic Chemistry 
(1972-)
;
_journal_page_first              2433
_journal_page_last               2435
_journal_volume                  1976
_journal_year                    1976
_chemical_formula_sum            'F2 O Se'
_chemical_name_systematic        'Se O F2'
_space_group_IT_number           29
_symmetry_space_group_name_Hall  'P 2c -2ac'
_symmetry_space_group_name_H-M   'P c a 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.65
_cell_length_b                   7.46
_cell_length_c                   6.24
_cell_volume                     263.010
_citation_journal_id_ASTM        JCDTBI
_cod_data_source_file            Dewan_JCDTBI_1976_653.cif
_cod_data_source_block           F2O1Se1
_cod_original_cell_volume        263.0098
_cod_original_formula_sum        'F2 O1 Se1'
_cod_database_code               4031233
Investigation of magnetic, magnetomechanical, and electrical properties Tb.27 Dy.73 Fe2-x Cox system
Dhilsha, K.R.; Rama Rao, K.V.S.; Journal of Applied Physics 73 (1993) 1380–1385; doi:

data_1527294
_publ_section_title
;
 Investigation of magnetic, magnetomechanical, and electrical properties
 Tb.27 Dy.73 Fe2-x Cox system
;
_journal_name_full               'Journal of Applied Physics'
_journal_page_first              1380
_journal_page_last               1385
_journal_volume                  73
_journal_year                    1993
_chemical_formula_sum            'Co Dy0.73 Fe Tb0.27'
_chemical_name_systematic        '(Co Fe) (Dy0.73 Tb0.27)'
_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            8
_cell_length_a                   7.292
_cell_length_b                   7.292
_cell_length_c                   7.292
_cell_volume                     387.739
_citation_journal_id_ASTM        JAPIAU
_cod_data_source_file            Dhilsha_JAPIAU_1993_331.cif
_cod_data_source_block           Co1Dy0.73Fe1Tb0.27
_cod_original_cell_volume        387.7394
_cod_original_sg_symbol_Hall     '-F 4vw 2vw 3 (x+1/8,y+1/8,z+1/8)'
_cod_original_formula_sum        'Co1 Dy0.73 Fe1 Tb0.27'
_cod_database_code               1527294
The crystal structure of calcium carbonate hexahydrate at ca.-120 degrees C
Dickens, B.; Brown, W.E.; Inorganic Chemistry 9 (1970) 480–486; doi:

data_4343764
_publ_section_title
;
 The crystal structure of calcium carbonate hexahydrate at ca.-120 degrees
 C
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              480
_journal_page_last               486
_journal_volume                  9
_journal_year                    1970
_chemical_formula_sum            'C H12 Ca O9'
_chemical_name_systematic        'Ca (C O3) (H2 O)6'
_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                 110.2
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.87
_cell_length_b                   8.23
_cell_length_c                   11.02
_cell_volume                     754.981
_citation_journal_id_ASTM        INOCAJ
_cod_data_source_file            Dickens_INOCAJ_1970_1817.cif
_cod_data_source_block           C1H12Ca1O9
_cod_original_cell_volume        754.9811
_cod_original_formula_sum        'C1 H12 Ca1 O9'
_cod_database_code               4343764
The crystal structure of triclinic W O3
Diehl, R.; Brandt, G.; Salje, E.; Acta Crystallographica B (24,1968-38,1982) 34 (1978) 1105–1111; doi:

data_2106293
_publ_section_title
;
 The crystal structure of triclinic W O3
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              1105
_journal_page_last               1111
_journal_volume                  34
_journal_year                    1978
_chemical_formula_sum            'O3 W'
_chemical_name_systematic        'W O3'
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                88.81
_cell_angle_beta                 90.92
_cell_angle_gamma                90.93
_cell_formula_units_Z            8
_cell_length_a                   7.309
_cell_length_b                   7.522
_cell_length_c                   7.678
_cell_volume                     421.925
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            Diehl_ACBCAR_1978_1906.cif
_cod_data_source_block           O3W1
_cod_original_cell_volume        421.9246
_cod_original_formula_sum        'O3 W1'
_cod_database_code               2106293
Physical properties and crystal structure of a new semiconducting I-III-VI2 compound, Cu Sc S2
Dismukes, J.P.; Smith, R.T.; White, J.G.; Journal of Physics and Chemistry of Solids 32 (1971) 913–922; doi:

data_1527295
_publ_section_title
;
 Physical properties and crystal structure of a new semiconducting
 I-III-VI2 compound, Cu Sc S2
;
_journal_name_full               'Journal of Physics and Chemistry of Solids'
_journal_page_first              913
_journal_page_last               922
_journal_volume                  32
_journal_year                    1971
_chemical_formula_sum            'Cu S2 Sc'
_chemical_name_systematic        'Cu Sc S2'
_space_group_IT_number           156
_symmetry_space_group_name_Hall  'P 3 -2"'
_symmetry_space_group_name_H-M   'P 3 m 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   3.7333
_cell_length_b                   3.7333
_cell_length_c                   6.098
_cell_volume                     73.604
_citation_journal_id_ASTM        JPCSAW
_cod_data_source_file            Dismukes_JPCSAW_1971_1370.cif
_cod_data_source_block           Cu1S2Sc1
_cod_original_cell_volume        73.60441
_cod_original_formula_sum        'Cu1 S2 Sc1'
_cod_database_code               1527295
K6 (Si2 Te6) - Synthese und struktur des ersten tellurodisilikats
Dittmar, G.; Angewandte Chemie (German Edition) 89 (1977) 566–567; doi:

data_1527296
_publ_section_title
;
 K6 (Si2 Te6) - Synthese und struktur des ersten tellurodisilikats
;
_journal_name_full               'Angewandte Chemie (German Edition)'
_journal_page_first              566
_journal_page_last               567
_journal_volume                  89
_journal_year                    1977
_chemical_formula_sum            'K6 Si2 Te6'
_chemical_name_systematic        'K6 (Si2 Te6)'
_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                 117.34
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   9.652
_cell_length_b                   13.621
_cell_length_c                   8.902
_cell_volume                     1039.614
_citation_journal_id_ASTM        ANCEAD
_cod_data_source_file            Dittmar_ANCEAD_1977_714.cif
_cod_data_source_block           K6Si2Te6
_cod_database_code               1527296
Darstellung und Kristallstruktur von (N H4)2 Sb4 S7
Dittmar, G.; Schaefer, H.; Zeitschrift fuer Anorganische und Allgemeine Chemie 437 (1977) 183–187; doi:

data_1527297
_publ_section_title
;
 Darstellung und Kristallstruktur von (N H4)2 Sb4 S7
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              183
_journal_page_last               187
_journal_volume                  437
_journal_year                    1977
_chemical_formula_sum            'H8 N2 S7 Sb4'
_chemical_name_systematic        '(N H4)2 Sb4 S7'
_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                   11.33
_cell_length_b                   26.252
_cell_length_c                   9.94
_cell_volume                     2956.505
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Dittmar_ZAACAB_1977_966.cif
_cod_data_source_block           H8N2S7Sb4
_cod_database_code               1527297
Darstellung und Struktur von K3 (S H) Te S3
Dittmar, G.; Schaefer, H.; Zeitschrift fuer Anorganische und Allgemeine Chemie 439 (1978) 212–218; doi:

data_1527298
_publ_section_title
;
 Darstellung und Struktur von K3 (S H) Te S3
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              212
_journal_page_last               218
_journal_volume                  439
_journal_year                    1978
_chemical_formula_sum            'H K3 S4 Te'
_chemical_name_systematic        'K3 (S H) Te S3'
_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            8
_cell_length_a                   12.7
_cell_length_b                   12.7
_cell_length_c                   12.7
_cell_volume                     2048.383
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Dittmar_ZAACAB_1978_1703.cif
_cod_data_source_block           H1K3S4Te1
_cod_original_formula_sum        'H1 K3 S4 Te1'
_cod_database_code               1527298
Die Kristallstruktur von Tetraaquo-Berylliumnitrat Be (O H2)4 (N O3)2
Divjakovic, V.; Edenharter, A.; Nowacki, W.; Ribar, B.; Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) 144 (1976) 314–322; doi:

data_8103649
_publ_section_title
;
 Die Kristallstruktur von Tetraaquo-Berylliumnitrat Be (O H2)4 (N O3)2
;
_journal_name_full
;
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, 
Kristallchemie (-144,1977)
;
_journal_page_first              314
_journal_page_last               322
_journal_volume                  144
_journal_year                    1976
_chemical_formula_sum            'Be H8 N2 O10'
_chemical_name_systematic        'Be (O H2)4 (N O3)2'
_space_group_IT_number           122
_symmetry_space_group_name_Hall  'I -4 2bw'
_symmetry_space_group_name_H-M   'I -4 2 d'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.636
_cell_length_b                   11.636
_cell_length_c                   6.252
_cell_volume                     846.499
_citation_journal_id_ASTM        ZEKGAX
_cod_data_source_file            Divjakovic_ZEKGAX_1976_1702.cif
_cod_data_source_block           H8Be1N2O10
_cod_original_cell_volume        846.4988
_cod_original_formula_sum        'H8 Be1 N2 O10'
_cod_database_code               8103649
Molecular and crystal structure of B20 H16
Dobrott, R.D.; Friedman, L.B.; Lipscomb, W.N.; Journal of Chemical Physics 40 (1964) 866–872; doi:

data_1527299
_publ_section_title
;
 Molecular and crystal structure of B20 H16
;
_journal_name_full               'Journal of Chemical Physics'
_journal_page_first              866
_journal_page_last               872
_journal_volume                  40
_journal_year                    1964
_chemical_formula_sum            'B20 H16'
_space_group_IT_number           142
_symmetry_space_group_name_Hall  '-I 4bd 2c'
_symmetry_space_group_name_H-M   'I 41/a c d :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   9.65
_cell_length_b                   9.65
_cell_length_c                   29.64
_cell_volume                     2760.151
_citation_journal_id_ASTM        JCPSA6
_cod_data_source_file            Dobrott_JCPSA6_1964_1682.cif
_cod_data_source_block           H16B20
_cod_original_formula_sum        'H16 B20'
_cod_database_code               1527299
The crystal structure of protactinium pentachloride
Dodge, R.P.; Elson, R.E.; Smith, G.S.; Johnson, Q.; Acta Crystallographica (1,1948-23,1967) 22 (1967) 85–89; doi:

data_2310374
_publ_section_title
;
 The crystal structure of protactinium pentachloride
;
_journal_name_full               'Acta Crystallographica (1,1948-23,1967)'
_journal_page_first              85
_journal_page_last               89
_journal_volume                  22
_journal_year                    1967
_chemical_formula_sum            'Cl5 Pa'
_chemical_name_systematic        'Pa Cl5'
_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                 105.4
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.97
_cell_length_b                   11.35
_cell_length_c                   8.36
_cell_volume                     729.089
_citation_journal_id_ASTM        ACCRA9
_cod_data_source_file            Dodge_ACCRA9_1967_1429.cif
_cod_data_source_block           Cl5Pa1
_cod_original_cell_volume        729.0889
_cod_original_formula_sum        'Cl5 Pa1'
_cod_database_code               2310374
Darstellung und Kristallstruktur von Sr5 Sn3 und Ba5 Sn3
Doerrscheidt, W.; Widera, A.; Schaefer, H.; Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977) 32 (1977) 1097–1099; doi:

data_7221339
_publ_section_title
;
 Darstellung und Kristallstruktur von Sr5 Sn3 und Ba5 Sn3
;
_journal_name_full
;
Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische 
Chemie (2,1947-32,1977)
;
_journal_page_first              1097
_journal_page_last               1099
_journal_volume                  32
_journal_year                    1977
_chemical_formula_sum            'Sn3 Sr5'
_chemical_name_systematic        'Sr5 Sn3'
_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                   8.54
_cell_length_b                   8.54
_cell_length_c                   16.06
_cell_volume                     1171.281
_citation_journal_id_ASTM        ZENBAX
_cod_data_source_file            Doerrscheidt_ZENBAX_1977_647.cif
_cod_data_source_block           Sn3Sr5
_cod_database_code               7221339
Die Struktur der Phase Ba Ni2 Si2 und ihre Verwandtschaft zum Th Cr2 Si2-Strukturtyp
Doerrscheidt, W.; Schaefer, H.; Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (33,1978-41,1986) 35 (1980) 297–299; doi:

data_7221340
_publ_section_title
;
 Die Struktur der Phase Ba Ni2 Si2 und ihre Verwandtschaft zum Th Cr2
 Si2-Strukturtyp
;
_journal_name_full
;
Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische 
Chemie (33,1978-41,1986)
;
_journal_page_first              297
_journal_page_last               299
_journal_volume                  35
_journal_year                    1980
_chemical_formula_sum            'Ba Ni2 Si2'
_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            4
_cell_length_a                   6.5
_cell_length_b                   5.35
_cell_length_c                   11.33
_cell_volume                     394.001
_citation_journal_id_ASTM        ZNBAD2
_cod_data_source_file            Doerrscheidt_ZNBAD2_1980_919.cif
_cod_data_source_block           Ba1Ni2Si2
_cod_original_cell_volume        394.0007
_cod_original_formula_sum        'Ba1 Ni2 Si2'
_cod_database_code               7221340
Refinement of the crystal structures of Epidote, Allanite and Hancockite
Dollase, W.A.; American Mineralogist 56 (1971) 447–463; doi:

data_1527300
_publ_section_title
;
 Refinement of the crystal structures of Epidote, Allanite and Hancockite
;
_journal_name_full               'American Mineralogist'
_journal_page_first              447
_journal_page_last               463
_journal_volume                  56
_journal_year                    1971
_chemical_formula_sum            'Al2.02 Ca1.25 Fe0.98 H O13 Pb0.5 Si3 Sr0.25'
_chemical_name_systematic
;
Ca (Pb.5 Sr.25 Ca.25) Al Al.86 Fe.14 Al.16 Fe.84 Si3 O13 H
;
_space_group_IT_number           11
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 114.4
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   8.958
_cell_length_b                   5.665
_cell_length_c                   10.304
_cell_volume                     476.194
_citation_journal_id_ASTM        AMMIAY
_cod_data_source_file            Dollase_AMMIAY_1971_1300.cif
_cod_data_source_block           H1Al2.02Ca1.25Fe0.98O13Pb0.5Si3Sr0.25
_cod_original_cell_volume        476.1945
_cod_original_formula_sum
'H1 Al2.02 Ca1.25 Fe0.98 O13 Pb0.5 Si3 Sr0.25'
_cod_database_code               1527300
Crystal structure and magnetic order of U Co5
Dommann, A.; Braendle, H.; Hulliger, F.; Fischer, P.; Journal of the Less-Common Metals 158 (1990) 287–294; doi:

data_1527301
_publ_section_title
;
 Crystal structure and magnetic order of U Co5
;
_journal_name_full               'Journal of the Less-Common Metals'
_journal_page_first              287
_journal_page_last               294
_journal_volume                  158
_journal_year                    1990
_chemical_formula_sum            'Co5 U'
_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            9
_cell_length_a                   4.78
_cell_length_b                   4.78
_cell_length_c                   36.34
_cell_volume                     719.070
_citation_journal_id_ASTM        JCOMAH
_cod_data_source_file            Dommann_JCOMAH_1990_373.cif
_cod_data_source_block           Co5U1
_cod_original_cell_volume        719.0704
_cod_original_formula_sum        'Co5 U1'
_cod_database_code               1527301
Crystal structure of the two pack polytypic form Zn In2 S4(II)B
Donika, F.G.; Kiosse, G.A.; Radautsan, S.I.; Semiletov, S.A.; Mustya, I.G.; Kristallografiya 17 (1972) 663–665; doi:

data_1527302
_publ_section_title
;
 Crystal structure of the two pack polytypic form Zn In2 S4(II)B
;
_journal_name_full               Kristallografiya
_journal_page_first              663
_journal_page_last               665
_journal_volume                  17
_journal_year                    1972
_chemical_formula_sum            'In2 S4 Zn'
_chemical_name_systematic        'Zn In2 S4'
_space_group_IT_number           186
_symmetry_space_group_name_Hall  'P 6c -2c'
_symmetry_space_group_name_H-M   'P 63 m c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   3.85
_cell_length_b                   3.85
_cell_length_c                   24.68
_cell_volume                     316.809
_citation_journal_id_ASTM        KRISAJ
_cod_data_source_file            Donika_KRISAJ_1972_1907.cif
_cod_data_source_block           In2S4Zn1
_cod_original_cell_volume        316.8088
_cod_original_formula_sum        'In2 S4 Zn1'
_cod_database_code               1527302
The synthesis, crystal structure, and superconducting properties of niobium phosphorus sulfide, niobium phosphorus selenide, and tantalum phosphorus sulfide
Donohue, P.C.; Bierstedt, P.E.; Inorganic Chemistry 8 (1969) 2690–2694; doi:

data_4343765
_publ_section_title
;
 The synthesis, crystal structure, and superconducting properties of
 niobium phosphorus sulfide, niobium phosphorus selenide, and tantalum
 phosphorus sulfide
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              2690
_journal_page_last               2694
_journal_volume                  8
_journal_year                    1969
_chemical_formula_sum            'Nb P S'
_space_group_IT_number           71
_symmetry_space_group_name_Hall  '-I 2 2'
_symmetry_space_group_name_H-M   'I m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   3.438
_cell_length_b                   11.88
_cell_length_c                   4.725
_cell_volume                     192.985
_citation_journal_id_ASTM        INOCAJ
_cod_data_source_file            Donohue_INOCAJ_1969_1820.cif
_cod_data_source_block           Nb1P1S1
_cod_original_cell_volume        192.9852
_cod_original_formula_sum        'Nb1 P1 S1'
_cod_database_code               4343765
The synthesis, crystal structure, and superconducting properties of niobium phosphorus sulfide, niobium phosphorus selenide, and tantalum phosphorus sulfide
Donohue, P.C.; Bierstedt, P.E.; Inorganic Chemistry 8 (1969) 2690–2694; doi:

data_4343766
_publ_section_title
;
 The synthesis, crystal structure, and superconducting properties of
 niobium phosphorus sulfide, niobium phosphorus selenide, and tantalum
 phosphorus sulfide
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              2690
_journal_page_last               2694
_journal_volume                  8
_journal_year                    1969
_chemical_formula_sum            'Nb P Se'
_space_group_IT_number           71
_symmetry_space_group_name_Hall  '-I 2 2'
_symmetry_space_group_name_H-M   'I m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   3.462
_cell_length_b                   12.33
_cell_length_c                   4.821
_cell_volume                     205.791
_citation_journal_id_ASTM        INOCAJ
_cod_data_source_file            Donohue_INOCAJ_1969_1821.cif
_cod_data_source_block           Nb1P1Se1
_cod_original_cell_volume        205.7914
_cod_original_formula_sum        'Nb1 P1 Se1'
_cod_database_code               4343766