LMucko/crystallography-open-database huggingface dataset:
Determination of the crystal structure of erbium pyrogermanate, Er2 Ge2 O7
Smolin, Yu.I.; Kristallografiya 15 (1970) 47–51; doi:

data_1528082
_publ_section_title
;
 Determination of the crystal structure of erbium pyrogermanate, Er2 Ge2
 O7
;
_journal_name_full               Kristallografiya
_journal_page_first              47
_journal_page_last               51
_journal_volume                  15
_journal_year                    1970
_chemical_formula_sum            'Er2 Ge2 O7'
_chemical_name_systematic        'Er2 (Ge2 O7)'
_space_group_IT_number           92
_symmetry_space_group_name_Hall  'P 4abw 2nw'
_symmetry_space_group_name_H-M   'P 41 21 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.778
_cell_length_b                   6.778
_cell_length_c                   12.34
_cell_volume                     566.915
_citation_journal_id_ASTM        KRISAJ
_cod_data_source_file            Smolin_KRISAJ_1970_1883.cif
_cod_data_source_block           Er2Ge2O7
_cod_original_cell_volume        566.9154
_cod_database_code               1528082
The crystal structure of the low-temperature form of samarium pyrosilicate, Sm2 Si2 O7
Smolin, Yu.I.; Shepelev, Yu.F.; Butikova, I.K.; Kristallografiya 15 (1970) 256–261; doi:

data_1528083
_publ_section_title
;
 The crystal structure of the low-temperature form of samarium
 pyrosilicate, Sm2 Si2 O7
;
_journal_name_full               Kristallografiya
_journal_page_first              256
_journal_page_last               261
_journal_volume                  15
_journal_year                    1970
_chemical_formula_sum            'O7 Si2 Sm2'
_chemical_name_systematic        'Sm2 (Si2 O7)'
_space_group_IT_number           76
_symmetry_space_group_name_Hall  'P 4w'
_symmetry_space_group_name_H-M   'P 41'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   6.695
_cell_length_b                   6.695
_cell_length_c                   24.4
_cell_volume                     1093.682
_citation_journal_id_ASTM        KRISAJ
_cod_data_source_file            Smolin_KRISAJ_1970_1886.cif
_cod_data_source_block           O7Si2Sm2
_cod_database_code               1528083
Determination of the crystal structure of Gd2 Ge2 O7
Smolin, Yu.I.; Butikova, I.K.; Shepelev, Yu.F.; Kristallografiya 16 (1971) 911–917; doi:

data_1528084
_publ_section_title
;
 Determination of the crystal structure of Gd2 Ge2 O7
;
_journal_name_full               Kristallografiya
_journal_page_first              911
_journal_page_last               917
_journal_volume                  16
_journal_year                    1971
_chemical_formula_sum            'Gd2 Ge2 O7'
_chemical_name_systematic        'Gd2 (Ge2 O7)'
_space_group_IT_number           1
_symmetry_space_group_name_Hall  'P 1'
_symmetry_space_group_name_H-M   'P 1'
_cell_angle_alpha                87.88
_cell_angle_beta                 91.52
_cell_angle_gamma                94.55
_cell_formula_units_Z            6
_cell_length_a                   18.5
_cell_length_b                   6.8
_cell_length_c                   6.858
_cell_volume                     859.188
_citation_journal_id_ASTM        KRISAJ
_cod_data_source_file            Smolin_KRISAJ_1971_1903.cif
_cod_data_source_block           Gd2Ge2O7
_cod_original_cell_volume        859.1878
_cod_database_code               1528084
Refinement of the crystal structure of thortveitite
Smolin, Yu.I.; Shepelev, Yu.F.; Titov, A.P.; Kristallografiya 17 (1972) 857–858; doi:

data_1528085
_publ_section_title
;
 Refinement of the crystal structure of thortveitite
;
_journal_name_full               Kristallografiya
_journal_page_first              857
_journal_page_last               858
_journal_volume                  17
_journal_year                    1972
_chemical_formula_sum            'O7 Sc2 Si2'
_chemical_name_systematic        'Sc2 (Si2 O7)'
_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                 102.77
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   6.503
_cell_length_b                   8.498
_cell_length_c                   4.682
_cell_volume                     252.339
_citation_journal_id_ASTM        KRISAJ
_cod_data_source_file            Smolin_KRISAJ_1972_1911.cif
_cod_data_source_block           O7Sc2Si2
_cod_original_cell_volume        252.3392
_cod_database_code               1528085
The new Laves phase Na2 Ba
Snyder, G.J.; Simon, A.; Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-) 49 (1994) 189–192; doi:

data_7221378
_publ_section_title
;
 The new Laves phase Na2 Ba
;
_journal_name_full
;
Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische 
Chemie (42,1987-)
;
_journal_page_first              189
_journal_page_last               192
_journal_volume                  49
_journal_year                    1994
_chemical_formula_sum            'Ba Na2'
_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                   7.393
_cell_length_b                   7.393
_cell_length_c                   11.999
_cell_volume                     567.959
_citation_journal_id_ASTM        ZNBSEN
_cod_data_source_file            Snyder_ZNBSEN_1994_216.cif
_cod_data_source_block           Ba1Na2
_cod_original_cell_volume        567.9592
_cod_original_formula_sum        'Ba1 Na2'
_cod_database_code               7221378
Phase transitions in Cr1-x Fex S (x=0.5)
Sokolovich, V.V.; Bayukov, O.A.; Fizika Tverdogo Tela (Leningrad) (= Solid State Physics) 35 (1993) 1018–1019; doi:

data_1528086
_publ_section_title
;
 Phase transitions in Cr1-x Fex S (x=0.5)
;
_journal_name_full
'Fizika Tverdogo Tela (Leningrad) (= Solid State Physics)'
_journal_page_first              1018
_journal_page_last               1019
_journal_volume                  35
_journal_year                    1993
_chemical_formula_sum            'Cr0.5 Fe0.5 S'
_chemical_name_systematic        '(Cr0.5 Fe0.5) S'
_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                   3.444
_cell_length_b                   3.444
_cell_length_c                   5.749
_cell_volume                     59.054
_citation_journal_id_ASTM        FTVTAC
_cod_data_source_file            Sokolovich_FTVTAC_1993_381.cif
_cod_data_source_block           Cr0.5Fe0.5S1
_cod_original_cell_volume        59.05399
_cod_original_formula_sum        'Cr0.5 Fe0.5 S1'
_cod_database_code               1528086
The Crystal Structure of K I Br2 (H2 O)
Soled, S.; Carpenter, G.B.; Acta Crystallographica B (24,1968-38,1982) 29 (1973) 2556–2559; doi:

data_2106438
_publ_section_title
;
 The Crystal Structure of K I Br2 (H2 O)
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              2556
_journal_page_last               2559
_journal_volume                  29
_journal_year                    1973
_chemical_formula_sum            'Br2 H2 I K O'
_chemical_name_systematic        'K I Br2 (H2 O)'
_space_group_IT_number           58
_symmetry_space_group_name_Hall  '-P 2 2n'
_symmetry_space_group_name_H-M   'P n n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.183
_cell_length_b                   13.046
_cell_length_c                   4.39
_cell_volume                     697.744
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            Soled_ACBCAR_1973_1031.cif
_cod_data_source_block           H2Br2I1K1O1
_cod_original_formula_sum        'H2 Br2 I1 K1 O1'
_cod_database_code               2106438
Crystal structure of Li Al (Mo O4)2
Solov'eva, L.P.; Borisov, S.V.; Kristallografiya 15 (1970) 577–580; doi:

data_1528087
_publ_section_title
;
 Crystal structure of Li Al (Mo O4)2
;
_journal_name_full               Kristallografiya
_journal_page_first              577
_journal_page_last               580
_journal_volume                  15
_journal_year                    1970
_chemical_formula_sum            'Al Li Mo2 O8'
_chemical_name_systematic        'Li Al (Mo O4)2'
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                111
_cell_angle_beta                 105
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   7.1
_cell_length_b                   7.25
_cell_length_c                   6.67
_cell_volume                     307.970
_citation_journal_id_ASTM        KRISAJ
_cod_data_source_file            Soloveva_KRISAJ_1970_1890.cif
_cod_data_source_block           Al1Li1Mo2O8
_cod_original_cell_volume        307.9698
_cod_original_formula_sum        'Al1 Li1 Mo2 O8'
_cod_database_code               1528087
A new modification of sodium hydrogensulphate
Sonneveld, E.J.; Visser, J.W.; Acta Crystallographica B (24,1968-38,1982) 34 (1978) 643–645; doi:

data_2106439
_publ_section_title
;
 A new modification of sodium hydrogensulphate
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              643
_journal_page_last               645
_journal_volume                  34
_journal_year                    1978
_chemical_formula_sum            'H Na O4 S'
_chemical_name_systematic        'Na H S O4'
_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                 99.49
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.759
_cell_length_b                   7.5
_cell_length_c                   5.147
_cell_volume                     333.492
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            Sonneveld_ACBCAR_1978_1098.cif
_cod_data_source_block           H1Na1O4S1
_cod_original_cell_volume        333.4919
_cod_original_sg_symbol_Hall     '-P 2ybc (x-z,y,z)'
_cod_original_formula_sum        'H1 Na1 O4 S1'
_cod_database_code               2106439
K2 Pt S15, Synthese und Kristallstruktur
Spangenberg, M.; Bronger, W.; Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (33,1978-41,1986) 33 (1978) 482–484; doi:

data_7221379
_publ_section_title
;
 K2 Pt S15, Synthese und Kristallstruktur
;
_journal_name_full
;
Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische 
Chemie (33,1978-41,1986)
;
_journal_page_first              482
_journal_page_last               484
_journal_volume                  33
_journal_year                    1978
_chemical_formula_sum            'K2 Pt S15'
_space_group_IT_number           9
_symmetry_space_group_name_Hall  'C -2yc'
_symmetry_space_group_name_H-M   'C 1 c 1'
_cell_angle_alpha                90
_cell_angle_beta                 92.61
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   15.73
_cell_length_b                   9.829
_cell_length_c                   12.832
_cell_volume                     1981.900
_citation_journal_id_ASTM        ZNBAD2
_cod_data_source_file            Spangenberg_ZNBAD2_1978_691.cif
_cod_data_source_block           K2Pt1S15
_cod_original_cell_volume        1981.9
_cod_original_formula_sum        'K2 Pt1 S15'
_cod_database_code               7221379
The molecular and crystal structure of (P C F3)5
Spencer, C.J.; Lipscomb, W.N.; Acta Crystallographica (1,1948-23,1967) 14 (1961) 250–256; doi:

data_2310487
_publ_section_title
;
 The molecular and crystal structure of (P C F3)5
;
_journal_name_full               'Acta Crystallographica (1,1948-23,1967)'
_journal_page_first              250
_journal_page_last               256
_journal_volume                  14
_journal_year                    1961
_chemical_formula_sum            'C5 F15 P5'
_chemical_name_systematic        '(P C F3)5'
_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                 103
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.87
_cell_length_b                   9.78
_cell_length_c                   16.67
_cell_volume                     1567.890
_citation_journal_id_ASTM        ACCRA9
_cod_data_source_file            Spencer_ACCRA9_1961_1433.cif
_cod_data_source_block           C5F15P5
_cod_original_cell_volume        1567.89
_cod_original_sg_symbol_Hall     '-P 2ybc (x-z,y,z)'
_cod_database_code               2310487
Dodecatungstophosphoric acid-21-water by neutron diffraction
Spirlet, M.R.; Busing, W.R.; Acta Crystallographica B (24,1968-38,1982) 34 (1978) 907–910; doi:

data_2106440
_publ_section_title
;
 Dodecatungstophosphoric acid-21-water by neutron diffraction
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              907
_journal_page_last               910
_journal_volume                  34
_journal_year                    1978
_chemical_formula_sum            'H45 O61 P W12'
_chemical_name_systematic        'H3 (P W12 O40) (H2 O)21'
_space_group_IT_number           54
_symmetry_space_group_name_Hall  '-P 2a 2ac'
_symmetry_space_group_name_H-M   'P c c a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   20.788
_cell_length_b                   13.086
_cell_length_c                   18.879
_cell_volume                     5135.688
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            Spirlet_ACBCAR_1978_1389.cif
_cod_data_source_block           H45O61P1W12
_cod_original_formula_sum        'H45 O61 P1 W12'
_cod_database_code               2106440
The crystal structure of 3,3'-commo-bis(undecahydro-1,2dicarba-3-nickela-closo-dodec borane), a nickel(IV) complex of the dicarbollide ion
St.Clair, D.; Zalkin, A.; Templeton, D.H.; Journal of the American Chemical Society 92 (1970) 1173–1179; doi:

data_4123986
_publ_section_title
;
 The crystal structure of
 3,3'-commo-bis(undecahydro-1,2dicarba-3-nickela-closo-dodec borane), a
 nickel(IV) complex of the dicarbollide ion
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              1173
_journal_page_last               1179
_journal_volume                  92
_journal_year                    1970
_chemical_formula_sum            'C4 H22 B18 Ni'
_chemical_name_systematic        'Ni (B9 C2 H11)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                 119.16
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   13.371
_cell_length_b                   10.398
_cell_length_c                   13.556
_cell_volume                     1645.849
_citation_journal_id_ASTM        JACSAT
_cod_data_source_file            St.Clair_JACSAT_1970_1359.cif
_cod_data_source_block           C4H22B18Ni1
_cod_original_formula_sum        'C4 H22 B18 Ni1'
_cod_database_code               4123986
The crystal structure of magnesium dimolybdate
Stadnicka, K.; Haber, J.; Kozlowski, R.; Acta Crystallographica B (24,1968-38,1982) 33 (1977) 3859–3862; doi:

data_2106441
_publ_section_title
;
 The crystal structure of magnesium dimolybdate
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              3859
_journal_page_last               3862
_journal_volume                  33
_journal_year                    1977
_chemical_formula_sum            'Mg Mo2 O7'
_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                 115.26
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.111
_cell_length_b                   5.7
_cell_length_c                   15.002
_cell_volume                     627.263
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            Stadnicka_ACBCAR_1977_773.cif
_cod_data_source_block           Mg1Mo2O7
_cod_original_formula_sum        'Mg1 Mo2 O7'
_cod_database_code               2106441
The crystal structure of zinc hydroxide nitrate, Zn5 (O H)8 (N O3)2 (H2 O)2
Staehlin, W.; Oswald, H.R.; Acta Crystallographica B (24,1968-38,1982) 26 (1970) 860–863; doi:

data_2106442
_publ_section_title
;
 The crystal structure of zinc hydroxide nitrate, Zn5 (O H)8 (N O3)2 (H2
 O)2
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              860
_journal_page_last               863
_journal_volume                  26
_journal_year                    1970
_chemical_formula_sum            'H12 N2 O16 Zn5'
_chemical_name_systematic        'Zn5 (O H)8 (N O3)2 (H2 O)2'
_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                 93.28
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   19.48
_cell_length_b                   6.238
_cell_length_c                   5.517
_cell_volume                     669.307
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            Staehlin_ACBCAR_1970_1786.cif
_cod_data_source_block           H12N2O16Zn5
_cod_original_cell_volume        669.3069
_cod_database_code               2106442
Crystal structure of cesium trans-tetrachloroaquocarbonylruthenate(II)
Stanko, J.A.; Chaipayungpundhu, S.; Journal of the American Chemical Society 92 (1970) 5580–5585; doi:

data_4123987
_publ_section_title
;
 Crystal structure of cesium trans-tetrachloroaquocarbonylruthenate(II)
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              5580
_journal_page_last               5585
_journal_volume                  92
_journal_year                    1970
_chemical_formula_sum            'C H2 Cl4 Cs2 O2 Ru'
_chemical_name_systematic        'Cs2 Ru Cl4 H2 O C O'
_space_group_IT_number           63
_symmetry_space_group_name_Hall  '-A 2 2a'
_symmetry_space_group_name_H-M   'A m a m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.096
_cell_length_b                   17.19
_cell_length_c                   7.437
_cell_volume                     1035.009
_citation_journal_id_ASTM        JACSAT
_cod_data_source_file            Stanko_JACSAT_1970_1362.cif
_cod_data_source_block           C1H2Cl4Cs2O2Ru1
_cod_original_sg_symbol_Hall     '-C 2c 2 (z,y,-x)'
_cod_original_formula_sum        'C1 H2 Cl4 Cs2 O2 Ru1'
_cod_database_code               4123987
The preparation and identification of the Zr S phase in the zirconium-sulfur system
Steiger, R.P.; Cater, E.D.; High Temperature Science 2 (1970) 398–401; doi:

data_1528088
_publ_section_title
;
 The preparation and identification of the Zr S phase in the
 zirconium-sulfur system
;
_journal_name_full               'High Temperature Science'
_journal_page_first              398
_journal_page_last               401
_journal_volume                  2
_journal_year                    1970
_chemical_formula_sum            'S2 Sc Y'
_chemical_name_systematic        '(Sc Y) S2'
_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            2
_cell_length_a                   5.3138
_cell_length_b                   5.3138
_cell_length_c                   5.3138
_cell_volume                     150.043
_citation_journal_id_ASTM        HITSAC
_cod_data_source_file            Steiger_HITSAC_1970_22.cif
_cod_data_source_block           S2Sc1Y1
_cod_original_cell_volume        150.0429
_cod_original_formula_sum        'S2 Sc1 Y1'
_cod_database_code               1528088
The crystal structure of Al2 Se3
Steigmann, G.A.; Goodyear, J.; Acta Crystallographica (1,1948-23,1967) 20 (1966) 617–619; doi:

data_2310488
_publ_section_title
;
 The crystal structure of Al2 Se3
;
_journal_name_full               'Acta Crystallographica (1,1948-23,1967)'
_journal_page_first              617
_journal_page_last               619
_journal_volume                  20
_journal_year                    1966
_chemical_formula_sum            'Al2 Se3'
_space_group_IT_number           9
_symmetry_space_group_name_Hall  'C -2yc'
_symmetry_space_group_name_H-M   'C 1 c 1'
_cell_angle_alpha                90
_cell_angle_beta                 121.1
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.68
_cell_length_b                   6.73
_cell_length_c                   7.32
_cell_volume                     492.695
_citation_journal_id_ASTM        ACCRA9
_cod_data_source_file            Steigmann_ACCRA9_1966_1106.cif
_cod_data_source_block           Al2Se3
_cod_original_cell_volume        492.6951
_cod_database_code               2310488
The crystal structure of Zn Al2 S4
Steigmann, G.A.; Acta Crystallographica (1,1948-23,1967) 23 (1967) 142–147; doi:

data_2310489
_publ_section_title
;
 The crystal structure of Zn Al2 S4
;
_journal_name_full               'Acta Crystallographica (1,1948-23,1967)'
_journal_page_first              142
_journal_page_last               147
_journal_volume                  23
_journal_year                    1967
_chemical_formula_sum            'Al2 S4 Zn'
_chemical_name_systematic        'Zn Al2 S4'
_space_group_IT_number           227
_symmetry_space_group_name_Hall  '-F 4vw 2vw 3'
_symmetry_space_group_name_H-M   'F d -3 m :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   10.005
_cell_length_b                   10.005
_cell_length_c                   10.005
_cell_volume                     1001.501
_citation_journal_id_ASTM        ACCRA9
_cod_data_source_file            Steigmann_ACCRA9_1967_1420.cif
_cod_data_source_block           Al2S4Zn1
_cod_original_formula_sum        'Al2 S4 Zn1'
_cod_database_code               2310489