LMucko/crystallography-open-database huggingface dataset:
Cobalt-Komplexe mit O2-Bruecken: Die Struktur von mue-Peroxo-bis(pentaammincobalt(III))-tetranitrat-dihydrat
Thewalt, U.; Zeitschrift fuer Anorganische und Allgemeine Chemie 485 (1982) 122–128; doi:

data_1539340
_publ_section_title
;
 Cobalt-Komplexe mit O2-Bruecken: Die Struktur von
 mue-Peroxo-bis(pentaammincobalt(III))-tetranitrat-dihydrat
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              122
_journal_page_last               128
_journal_volume                  485
_journal_year                    1982
_chemical_formula_sum            'Co2 H34 N14 O16'
_chemical_name_systematic        '((N H3)5 Co O2 Co (N H3)5) (N O3)4 (H2 O)2'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 91.58
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   11.675
_cell_length_b                   11.977
_cell_length_c                   8.082
_cell_volume                     1129.688
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Thewalt_ZAACAB_1982_297.cif
_cod_data_source_block           H34Co2N14O16
_cod_original_sg_symbol_Hall     '-P 2ybc (x-z,y,z)'
_cod_original_formula_sum        'H34 Co2 N14 O16'
_cod_database_code               1539340
Zur Kenntnis von Cs4 Sn5 S12 (H2 O)2, ein Caesium(I)-thiostannat(IV) mit fuenf- und sechsfach koordiniertem Zinn
Sheldrick, W.S.; Zeitschrift fuer Anorganische und Allgemeine Chemie 562 (1988) 23–30; doi:

data_1539341
_publ_section_title
;
 Zur Kenntnis von Cs4 Sn5 S12 (H2 O)2, ein Caesium(I)-thiostannat(IV) mit
 fuenf- und sechsfach koordiniertem Zinn
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              23
_journal_page_last               30
_journal_volume                  562
_journal_year                    1988
_chemical_formula_sum            'Cs4 H4 O2 S12 Sn5'
_chemical_name_systematic        'Cs4 Sn5 S12 (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            4
_cell_length_a                   13.11
_cell_length_b                   16.239
_cell_length_c                   14.232
_cell_volume                     3029.897
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Sheldrick_ZAACAB_1988_1973.cif
_cod_data_source_block           H4Cs4O2S12Sn5
_cod_original_formula_sum        'H4 Cs4 O2 S12 Sn5'
_cod_database_code               1539341
Ueber Na2 Pr O3 und Na2 Tb O3
Wolf, R.; Hoppe, R.; Zeitschrift fuer Anorganische und Allgemeine Chemie 556 (1988) 97–108; doi:

data_1539342
_publ_section_title
;
 Ueber Na2 Pr O3 und Na2 Tb O3
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              97
_journal_page_last               108
_journal_volume                  556
_journal_year                    1988
_chemical_formula_sum            'Na2 O3 Pr'
_chemical_name_systematic        'Na2 Pr O3'
_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                 108.25
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   6.7878
_cell_length_b                   9.7747
_cell_length_c                   10.8058
_cell_volume                     680.888
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Wolf_ZAACAB_1988_1056.cif
_cod_data_source_block           Na2O3Pr1
_cod_original_cell_volume        680.8876
_cod_original_formula_sum        'Na2 O3 Pr1'
_cod_database_code               1539342
S4 N4 und seine Derivate. Molekuel- und Kristall- Struktur von S6 N4 (Fe Cl4)2
Thewalt, U.; Burger, M.; Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (33,1978-41,1986) 36 (1981) 293–296; doi:

data_7222933
_publ_section_title
;
 S4 N4 und seine Derivate. Molekuel- und Kristall- Struktur von S6 N4 (Fe
 Cl4)2
;
_journal_name_full
;
Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische 
Chemie (33,1978-41,1986)
;
_journal_page_first              293
_journal_page_last               296
_journal_volume                  36
_journal_year                    1981
_chemical_formula_sum            'Cl8 Fe2 N4 S6'
_chemical_name_systematic        'S6 N4 (Fe Cl4)2'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 101.25
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.09
_cell_length_b                   11.745
_cell_length_c                   13.918
_cell_volume                     1938.341
_citation_journal_id_ASTM        ZNBAD2
_cod_data_source_file            Thewalt_ZNBAD2_1981_1304.cif
_cod_data_source_block           Cl8Fe2N4S6
_cod_database_code               7222933
The Ge-Te system in the region of the compound GeTe
Shelimova, L.E.; Abrikosov, N.Kh.; Zhdanova, V.V.; Russian Journal of Inorganic Chemistry (= Zhurnal Neorganicheskoi Khimii) 10 (1965) 650–652; doi:

data_4031683
_publ_section_title
;
 The Ge-Te system in the region of the compound GeTe
;
_journal_name_full
;
Russian Journal of Inorganic Chemistry (= Zhurnal Neorganicheskoi Khimii)
;
_journal_page_first              650
_journal_page_last               652
_journal_volume                  10
_journal_year                    1965
_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                   6.02
_cell_length_b                   6.02
_cell_length_c                   6.02
_cell_volume                     218.167
_citation_journal_id_ASTM        RJICAQ
_cod_data_source_file            Shelimova_RJICAQ_1965_56.cif
_cod_data_source_block           Ge1Te1
_cod_original_cell_volume        218.1672
_cod_original_formula_sum        'Ge1 Te1'
_cod_database_code               4031683
Ueber Na2 Pr O3 und Na2 Tb O3
Wolf, R.; Hoppe, R.; Zeitschrift fuer Anorganische und Allgemeine Chemie 556 (1988) 97–108; doi:

data_1539343
_publ_section_title
;
 Ueber Na2 Pr O3 und Na2 Tb O3
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              97
_journal_page_last               108
_journal_volume                  556
_journal_year                    1988
_chemical_formula_sum            'Na2 O3 Tb'
_chemical_name_systematic        'Na2 Tb O3'
_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                 99.98
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   5.7692
_cell_length_b                   10.0127
_cell_length_c                   11.1791
_cell_volume                     635.992
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Wolf_ZAACAB_1988_1058.cif
_cod_data_source_block           Na2O3Tb1
_cod_original_cell_volume        635.9922
_cod_original_formula_sum        'Na2 O3 Tb1'
_cod_database_code               1539343
Die Kristallstruktur des beta-Palladium(II)-jodids
Thiele, G.; Brodersen, K.; Holle, B.; Kruse, E.; Chemische Berichte 101 (1968) 2771–2775; doi:

data_1539344
_publ_section_title
;
 Die Kristallstruktur des beta-Palladium(II)-jodids
;
_journal_name_full               'Chemische Berichte'
_journal_page_first              2771
_journal_page_last               2775
_journal_volume                  101
_journal_year                    1968
_chemical_formula_sum            'I2 Pd'
_chemical_name_systematic        'Pd I2'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 103.5
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.69
_cell_length_b                   8.6
_cell_length_c                   6.87
_cell_volume                     384.338
_citation_journal_id_ASTM        CHBEAM
_cod_data_source_file            Thiele_CHBEAM_1968_639.cif
_cod_data_source_block           I2Pd1
_cod_original_cell_volume        384.3376
_cod_original_formula_sum        'I2 Pd1'
_cod_database_code               1539344
Superconductivity and relative phase stability in 1:2:2 ternary transition metal silicides and germanides
Shelton, R.N.; Braun, H.F.; Musick, E.; Solid State Communications 52 (1984) 797–799; doi:

data_1539345
_publ_section_title
;
 Superconductivity and relative phase stability in 1:2:2 ternary
 transition metal silicides and germanides
;
_journal_name_full               'Solid State Communications'
_journal_page_first              797
_journal_page_last               799
_journal_volume                  52
_journal_year                    1984
_chemical_formula_sum            'Ge2 Pd2 Th'
_chemical_name_systematic        'Pd2 Th Ge2'
_space_group_IT_number           139
_symmetry_space_group_name_Hall  '-I 4 2'
_symmetry_space_group_name_H-M   'I 4/m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   4.295
_cell_length_b                   4.295
_cell_length_c                   10.104
_cell_volume                     186.389
_citation_journal_id_ASTM        SSCOA4
_cod_data_source_file            Shelton_SSCOA4_1984_13.cif
_cod_data_source_block           Ge2Pd2Th1
_cod_original_cell_volume        186.3887
_cod_original_formula_sum        'Ge2 Pd2 Th1'
_cod_database_code               1539345
Laves-phase compounds of alkaline earths and noble metals
Wood, E.A.; Acta Crystallographica (1,1948-23,1967) 11 (1958) 429–433; doi:

data_2310982
_publ_section_title
;
 Laves-phase compounds of alkaline earths and noble metals
;
_journal_name_full               'Acta Crystallographica (1,1948-23,1967)'
_journal_page_first              429
_journal_page_last               433
_journal_volume                  11
_journal_year                    1958
_chemical_formula_sum            'Pd2 Sr'
_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                   7.826
_cell_length_b                   7.826
_cell_length_c                   7.826
_cell_volume                     479.313
_citation_journal_id_ASTM        ACCRA9
_cod_data_source_file            Wood_ACCRA9_1958_1424.cif
_cod_data_source_block           Pd2Sr1
_cod_original_cell_volume        479.3134
_cod_original_sg_symbol_Hall     '-F 4vw 2vw 3 (x+1/8,y+1/8,z+1/8)'
_cod_original_formula_sum        'Pd2 Sr1'
_cod_database_code               2310982
The crystal structure and X-ray diffraction data for anhydrous gadolinium bromide
Thomas, H.H.; Baker, W.A.; Acta Crystallographica B (24,1968-38,1982) 29 (1973) 1740–1743; doi:

data_2107196
_publ_section_title
;
 The crystal structure and X-ray diffraction data for anhydrous gadolinium
 bromide
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              1740
_journal_page_last               1743
_journal_volume                  29
_journal_year                    1973
_chemical_formula_sum            'Br3 Gd'
_chemical_name_systematic        'Gd Br3'
_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                 110.6
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.224
_cell_length_b                   12.512
_cell_length_c                   6.84
_cell_volume                     578.714
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            Thomas_ACBCAR_1973_1090.cif
_cod_data_source_block           Br3Gd1
_cod_original_cell_volume        578.7141
_cod_original_formula_sum        'Br3 Gd1'
_cod_database_code               2107196
Superconductivity and relative phase stability in 1:2:2 ternary transition metal silicides and germanides
Shelton, R.N.; Braun, H.F.; Musick, E.; Solid State Communications 52 (1984) 797–799; doi:

data_1539346
_publ_section_title
;
 Superconductivity and relative phase stability in 1:2:2 ternary
 transition metal silicides and germanides
;
_journal_name_full               'Solid State Communications'
_journal_page_first              797
_journal_page_last               799
_journal_volume                  52
_journal_year                    1984
_chemical_formula_sum            'Pd2 Si2 Th'
_chemical_name_systematic        'Pd2 Th Si2'
_space_group_IT_number           139
_symmetry_space_group_name_Hall  '-I 4 2'
_symmetry_space_group_name_H-M   'I 4/m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   4.187
_cell_length_b                   4.187
_cell_length_c                   9.92
_cell_volume                     173.907
_citation_journal_id_ASTM        SSCOA4
_cod_data_source_file            Shelton_SSCOA4_1984_1402.cif
_cod_data_source_block           Pd2Si2Th1
_cod_original_cell_volume        173.9072
_cod_original_formula_sum        'Pd2 Si2 Th1'
_cod_database_code               1539346
Laves-phase compounds of alkaline earths and noble metals
Wood, E.A.; Acta Crystallographica (1,1948-23,1967) 11 (1958) 429–433; doi:

data_2310983
_publ_section_title
;
 Laves-phase compounds of alkaline earths and noble metals
;
_journal_name_full               'Acta Crystallographica (1,1948-23,1967)'
_journal_page_first              429
_journal_page_last               433
_journal_volume                  11
_journal_year                    1958
_chemical_formula_sum            'Ir2 Sr'
_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                   7.7
_cell_length_b                   7.7
_cell_length_c                   7.7
_cell_volume                     456.533
_citation_journal_id_ASTM        ACCRA9
_cod_data_source_file            Wood_ACCRA9_1958_351.cif
_cod_data_source_block           Ir2Sr1
_cod_original_sg_symbol_Hall     '-F 4vw 2vw 3 (x+1/8,y+1/8,z+1/8)'
_cod_original_formula_sum        'Ir2 Sr1'
_cod_database_code               2310983
Hydrogen-bond studies. LXXV. An X-ray diffraction study of normal and deuterated hydrazinium hydrogen oxalate, N2 H5 H C2 O4 and N2 D5 D C2 O4
Thomas, J.O.; Acta Crystallographica B (24,1968-38,1982) 29 (1973) 1767–1776; doi:

data_2107197
_publ_section_title
;
 Hydrogen-bond studies. LXXV. An X-ray diffraction study of normal and
 deuterated hydrazinium hydrogen oxalate, N2 H5 H C2 O4 and N2 D5 D C2 O4
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              1767
_journal_page_last               1776
_journal_volume                  29
_journal_year                    1973
_chemical_formula_sum            'C2 H6 N2 O4'
_chemical_name_systematic        'N2 H5 H C2 O4'
_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                 102.6
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   3.5792
_cell_length_b                   13.3228
_cell_length_c                   5.0965
_cell_volume                     237.174
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            Thomas_ACBCAR_1973_1100.cif
_cod_data_source_block           C2H6N2O4
_cod_original_cell_volume        237.1736
_cod_database_code               2107197
Superconductivity and relative phase stability in 1:2:2 ternary transition metal silicides and germanides
Shelton, R.N.; Braun, H.F.; Musick, E.; Solid State Communications 52 (1984) 797–799; doi:

data_1539347
_publ_section_title
;
 Superconductivity and relative phase stability in 1:2:2 ternary
 transition metal silicides and germanides
;
_journal_name_full               'Solid State Communications'
_journal_page_first              797
_journal_page_last               799
_journal_volume                  52
_journal_year                    1984
_chemical_formula_sum            'Pd2 Si2 Y'
_chemical_name_systematic        'Pd2 Y Si2'
_space_group_IT_number           139
_symmetry_space_group_name_Hall  '-I 4 2'
_symmetry_space_group_name_H-M   'I 4/m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   4.125
_cell_length_b                   4.125
_cell_length_c                   9.842
_cell_volume                     167.468
_citation_journal_id_ASTM        SSCOA4
_cod_data_source_file            Shelton_SSCOA4_1984_1406.cif
_cod_data_source_block           Pd2Si2Y1
_cod_original_cell_volume        167.4678
_cod_original_formula_sum        'Pd2 Si2 Y1'
_cod_database_code               1539347
Effects of solid solution of Ga2 Te3 with AIIBVI tellurides
Woolley, J.C.; Ray, B.; Journal of Physics and Chemistry of Solids 16 (1960) 102–106; doi:

data_1539348
_publ_section_title
;
 Effects of solid solution of Ga2 Te3 with AIIBVI tellurides
;
_journal_name_full               'Journal of Physics and Chemistry of Solids'
_journal_page_first              102
_journal_page_last               106
_journal_volume                  16
_journal_year                    1960
_chemical_formula_sum            'Hg Te'
_space_group_IT_number           216
_symmetry_space_group_name_Hall  'F -4 2 3'
_symmetry_space_group_name_H-M   'F -4 3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.48
_cell_length_b                   6.48
_cell_length_c                   6.48
_cell_volume                     272.098
_citation_journal_id_ASTM        JPCSAW
_cod_data_source_file            Woolley_JPCSAW_1960_156.cif
_cod_data_source_block           Hg1Te1
_cod_original_cell_volume        272.0978
_cod_original_formula_sum        'Hg1 Te1'
_cod_database_code               1539348
Hydrogen-bond studies. LXXV. An X-ray diffraction study of normal and deuterated hydrazinium hydrogen oxalate, N2 H5 H C2 O4 and N2 D5 D C2 O4
Thomas, J.O.; Acta Crystallographica B (24,1968-38,1982) 29 (1973) 1767–1776; doi:

data_2107198
_publ_section_title
;
 Hydrogen-bond studies. LXXV. An X-ray diffraction study of normal and
 deuterated hydrazinium hydrogen oxalate, N2 H5 H C2 O4 and N2 D5 D C2 O4
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              1767
_journal_page_last               1776
_journal_volume                  29
_journal_year                    1973
_chemical_formula_sum            'C2 D6 N2 O4'
_chemical_name_systematic        'N2 D5 D C2 O4'
_space_group_IT_number           4
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_cell_angle_alpha                90
_cell_angle_beta                 102.488
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   3.5858
_cell_length_b                   13.3085
_cell_length_c                   5.1001
_cell_volume                     237.627
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            Thomas_ACBCAR_1973_1101.cif
_cod_data_source_block           C2D6N2O4
_cod_original_cell_volume        237.6269
_cod_database_code               2107198
Superconductivity and relative phase stability in 1:2:2 ternary transition metal silicides and germanides
Shelton, R.N.; Braun, H.F.; Musick, E.; Solid State Communications 52 (1984) 797–799; doi:

data_1539349
_publ_section_title
;
 Superconductivity and relative phase stability in 1:2:2 ternary
 transition metal silicides and germanides
;
_journal_name_full               'Solid State Communications'
_journal_page_first              797
_journal_page_last               799
_journal_volume                  52
_journal_year                    1984
_chemical_formula_sum            'Rh2 Si2 Th'
_chemical_name_systematic        'Rh2 Th Si2'
_space_group_IT_number           139
_symmetry_space_group_name_Hall  '-I 4 2'
_symmetry_space_group_name_H-M   'I 4/m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   4.089
_cell_length_b                   4.089
_cell_length_c                   10.018
_cell_volume                     167.500
_citation_journal_id_ASTM        SSCOA4
_cod_data_source_file            Shelton_SSCOA4_1984_1634.cif
_cod_data_source_block           Rh2Si2Th1
_cod_original_cell_volume        167.5002
_cod_original_formula_sum        'Rh2 Si2 Th1'
_cod_database_code               1539349
Growth and characterization of nickel-doped Zn S single crystals
Wu, P.; Kershaw, R.; Dwight, K.; Wold, A.; Materials Research Bulletin 24 (1989) 49–53; doi:

data_1539350
_publ_section_title
;
 Growth and characterization of nickel-doped Zn S single crystals
;
_journal_name_full               'Materials Research Bulletin'
_journal_page_first              49
_journal_page_last               53
_journal_volume                  24
_journal_year                    1989
_chemical_formula_sum            'Ni0.12 S4 Zn3.88'
_chemical_name_systematic        '(Ni Zn32 S33)0.12'
_space_group_IT_number           216
_symmetry_space_group_name_Hall  'F -4 2 3'
_symmetry_space_group_name_H-M   'F -4 3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   5.409
_cell_length_b                   5.409
_cell_length_c                   5.409
_cell_volume                     158.253
_citation_journal_id_ASTM        MRBUAC
_cod_data_source_file            Wu_MRBUAC_1989_1011.cif
_cod_data_source_block           Ni0.12S4Zn3.88
_cod_original_cell_volume        158.2526
_cod_database_code               1539350