LMucko/crystallography-open-database huggingface dataset:
Structural studies on the sulfur-selenium binary system
Laitinen, R.; Niinisto, L.; Steudel, R.; Acta Chemica Scandinavica, Series A: (28,1974-) 33 (1979) 737–747; doi:

data_1532677
_publ_section_title
;
 Structural studies on the sulfur-selenium binary system
;
_journal_name_full
'Acta Chemica Scandinavica, Series A: (28,1974-)'
_journal_page_first              737
_journal_page_last               747
_journal_volume                  33
_journal_year                    1979
_chemical_formula_sum            'S7 Se'
_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                 124.89
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.498
_cell_length_b                   13.134
_cell_length_c                   9.311
_cell_volume                     852.427
_citation_journal_id_ASTM        ACAPCT
_cod_data_source_file            Laitinen_ACAPCT_1979_277.cif
_cod_data_source_block           S7Se1
_cod_original_cell_volume        852.4271
_cod_original_formula_sum        'S7 Se1'
_cod_database_code               1532677
The incommensurably modulated strucutre of zeta-(Zn3-x Sb2)
Bostroem, M.; Lidin, S.; Journal of Alloys Compd. 376 (2004) 49–57; doi:

data_1532678
_publ_section_title
;
 The incommensurably modulated strucutre of zeta-(Zn3-x Sb2)
;
_journal_name_full               'Journal of Alloys Compd.'
_journal_page_first              49
_journal_page_last               57
_journal_volume                  376
_journal_year                    2004
_chemical_formula_sum            'Sb2 Zn3'
_chemical_name_systematic        'Zn3 Sb2'
_space_group_IT_number           52
_symmetry_space_group_name_Hall  '-P 2a 2bc'
_symmetry_space_group_name_H-M   'P n n a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            24
_cell_length_a                   7.283
_cell_length_b                   15.398
_cell_length_c                   25.06
_cell_volume                     2810.319
_citation_journal_id_ASTM        JALCEU
_cod_data_source_file            Bostroem_JALCEU_2004_1532.cif
_cod_data_source_block           Sb2Zn3
_cod_database_code               1532678
Sn/Sb atom ordering in the ternary stannide-antimonide Ti Sn Sb
Dashjav, E.; Kleinke, H.; Journal of Solid State Chemistry 176 (2003) 329–337; doi:

data_1532679
_publ_section_title
;
 Sn/Sb atom ordering in the ternary stannide-antimonide Ti Sn Sb
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              329
_journal_page_last               337
_journal_volume                  176
_journal_year                    2003
_chemical_formula_sum            'Sb Sn Ti'
_chemical_name_systematic        'Ti Sn Sb'
_space_group_IT_number           70
_symmetry_space_group_name_Hall  '-F 2uv 2vw'
_symmetry_space_group_name_H-M   'F d d d :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            16
_cell_length_a                   5.4892
_cell_length_b                   9.845
_cell_length_c                   19.151
_cell_volume                     1034.943
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Dashjav_JSSCBI_2003_236.cif
_cod_data_source_block           Sb1Sn1Ti1
_cod_original_formula_sum        'Sb1 Sn1 Ti1'
_cod_database_code               1532679
Magnetic structures of R3 Cu4 Ge4 (R = Tb, Dy, Ho, Er)
Wawrzynska, E.; Szytula, A.; Penc, B.; Hernandez-Velasco, J.; Zygmunt, A.; Journal of Magnetism and Magnetic Materials 264 (2003) 192–201; doi:

data_1532680
_publ_section_title
;
 Magnetic structures of R3 Cu4 Ge4 (R = Tb, Dy, Ho, Er)
;
_journal_name_full               'Journal of Magnetism and Magnetic Materials'
_journal_page_first              192
_journal_page_last               201
_journal_volume                  264
_journal_year                    2003
_chemical_formula_sum            'Cu4 Dy3 Ge4'
_chemical_name_systematic        'Dy3 Cu4 Ge4'
_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            2
_cell_length_a                   13.8817
_cell_length_b                   6.6264
_cell_length_c                   4.1804
_cell_volume                     384.537
_citation_journal_id_ASTM        JMMMDC
_cod_data_source_file            Wawrzynska_JMMMDC_2003_831.cif
_cod_data_source_block           Cu4Dy3Ge4
_cod_database_code               1532680
Structural studies on the sulfur-selenium binary system
Laitinen, R.; Niinisto, L.; Steudel, R.; Acta Chemica Scandinavica, Series A: (28,1974-) 33 (1979) 737–747; doi:

data_1532681
_publ_section_title
;
 Structural studies on the sulfur-selenium binary system
;
_journal_name_full
'Acta Chemica Scandinavica, Series A: (28,1974-)'
_journal_page_first              737
_journal_page_last               747
_journal_volume                  33
_journal_year                    1979
_chemical_formula_sum            'S6 Se2'
_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                 124.28
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.596
_cell_length_b                   13.374
_cell_length_c                   9.392
_cell_volume                     892.177
_citation_journal_id_ASTM        ACAPCT
_cod_data_source_file            Laitinen_ACAPCT_1979_283.cif
_cod_data_source_block           S6Se2
_cod_original_cell_volume        892.1768
_cod_database_code               1532681
Synthesis, properties and structure determination of Nb2 O3 (S O4)2 * 0.25(H2 O) from neutron and synchrotron X-ray powder diffraction data
Bostroem, M.; Gemmi, M.; Schnelle, W.; Eriksson, L.; Journal of Solid State Chemistry 177 (2004) 1738–1745; doi:

data_1532682
_publ_section_title
;
 Synthesis, properties and structure determination of Nb2 O3 (S O4)2 *
 0.25(H2 O) from neutron and synchrotron X-ray powder diffraction data
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              1738
_journal_page_last               1745
_journal_volume                  177
_journal_year                    2004
_chemical_formula_sum            'H0.5 Nb2 O11.25 S2'
_chemical_name_systematic        'Nb2 O3 (S O4)2 (H2 O)0.25'
_space_group_IT_number           148
_symmetry_space_group_name_Hall  '-R 3'
_symmetry_space_group_name_H-M   'R -3 :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            12
_cell_length_a                   10.384
_cell_length_b                   10.384
_cell_length_c                   26.55
_cell_volume                     2479.274
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Bostroem_JSSCBI_2004_1711.cif
_cod_data_source_block           H0.5Nb2O11.25S2
_cod_database_code               1532682
Polyatomic Cations of Sulfur. II. The Crystal Structure of Octasulfur Bis(hexafluoroarsenate), S8 (As F6)2
Davies, C.G.; Gillespie, R.J.; Passmore, J.; Park, J.J.; Inorganic Chemistry 10 (1971) 2781–2784; doi:

data_4344154
_publ_section_title
;
 Polyatomic Cations of Sulfur. II. The Crystal Structure of Octasulfur
 Bis(hexafluoroarsenate), S8 (As F6)2
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              2781
_journal_page_last               2784
_journal_volume                  10
_journal_year                    1971
_chemical_formula_sum            'As2 F12 S8'
_chemical_name_systematic        'S8 (As F6)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                 107.96
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   15.005
_cell_length_b                   13.401
_cell_length_c                   16.489
_cell_volume                     3154.077
_citation_journal_id_ASTM        INOCAJ
_cod_data_source_file            Davies_INOCAJ_1971_1450.cif
_cod_data_source_block           As2F12S8
_cod_database_code               4344154
Structural Studies on the Sulfur-Selenium Binary System
Laitinen, R.; Niinisto, L.; Steudel, R.; Acta Chemica Scandinavica, Series A: (28,1974-) 33 (1979) 737–747; doi:

data_1532683
_publ_section_title
;
 Structural Studies on the Sulfur-Selenium Binary System
;
_journal_name_full
'Acta Chemica Scandinavica, Series A: (28,1974-)'
_journal_page_first              737
_journal_page_last               747
_journal_volume                  33
_journal_year                    1979
_chemical_formula_sum            'S4.11 Se3.89'
_chemical_name_systematic        'S4 Se4'
_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                 90.97
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.75
_cell_length_b                   9.139
_cell_length_c                   11.36
_cell_volume                     908.286
_citation_journal_id_ASTM        ACAPCT
_cod_data_source_file            Laitinen_ACAPCT_1979_293.cif
_cod_data_source_block           S4.11Se3.89
_cod_original_cell_volume        908.2864
_cod_original_sg_symbol_Hall     '-P 2ybc (x-z,y,z)'
_cod_database_code               1532683
The structure of the Y-phase in the Mg - Ni - Sn system
Boudard, M.; Vincent, H.; Bordet, P.; Audebert, F.; Journal of Alloys Compd. 372 (2004) 121–128; doi:

data_1532684
_publ_section_title
;
 The structure of the Y-phase in the Mg - Ni - Sn system
;
_journal_name_full               'Journal of Alloys Compd.'
_journal_page_first              121
_journal_page_last               128
_journal_volume                  372
_journal_year                    2004
_chemical_formula_sum            'Mg11.92 Ni2.32 Sn1.76'
_space_group_IT_number           101
_symmetry_space_group_name_Hall  'P 4c -2c'
_symmetry_space_group_name_H-M   'P 42 c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   9.851
_cell_length_b                   9.851
_cell_length_c                   6.868
_cell_volume                     666.486
_citation_journal_id_ASTM        JALCEU
_cod_data_source_file            Boudard_JALCEU_2004_1469.cif
_cod_data_source_block           Mg11.92Ni2.32Sn1.76
_cod_original_cell_volume        666.4858
_cod_database_code               1532684
Magnetic structures of R3 Cu4 Ge4 (R = Tb, Dy, Ho, Er)
Wawrzynska, E.; Hernandez-Velasco, J.; Penc, B.; Zygmunt, A.; Szytula, A.; Journal of Magnetism and Magnetic Materials 264 (2003) 192–201; doi:

data_1532685
_publ_section_title
;
 Magnetic structures of R3 Cu4 Ge4 (R = Tb, Dy, Ho, Er)
;
_journal_name_full               'Journal of Magnetism and Magnetic Materials'
_journal_page_first              192
_journal_page_last               201
_journal_volume                  264
_journal_year                    2003
_chemical_formula_sum            'Cu4 Ge4 Ho3'
_chemical_name_systematic        'Ho3 Cu4 Ge4'
_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            2
_cell_length_a                   13.835
_cell_length_b                   6.6163
_cell_length_c                   4.1651
_cell_volume                     381.259
_citation_journal_id_ASTM        JMMMDC
_cod_data_source_file            Wawrzynska_JMMMDC_2003_833.cif
_cod_data_source_block           Cu4Ge4Ho3
_cod_original_cell_volume        381.2587
_cod_database_code               1532685
X-ray powder diffraction study of the semiconducting alloy Cu2 Cd0.5 Mn0.5 Ge Se4
Delgado, G.E.; Quintero, M.; Tovar, R.; Quintero, E.; Crystal Research and Technology 39 (2004) 807–810; doi:

data_1532686
_publ_section_title
;
 X-ray powder diffraction study of the semiconducting alloy Cu2 Cd0.5
 Mn0.5 Ge Se4
;
_journal_name_full               'Crystal Research and Technology'
_journal_page_first              807
_journal_page_last               810
_journal_volume                  39
_journal_year                    2004
_chemical_formula_sum            'Cd0.52 Cu2 Ge Mn0.48 Se4'
_chemical_name_systematic        'Cu2 (Cd0.52 Mn0.48) (Ge Se4)'
_space_group_IT_number           31
_symmetry_space_group_name_Hall  'P 2ac -2'
_symmetry_space_group_name_H-M   'P m n 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   8.0253
_cell_length_b                   6.8591
_cell_length_c                   6.5734
_cell_volume                     361.842
_citation_journal_id_ASTM        CRTEDF
_cod_data_source_file            Delgado_CRTEDF_2004_1254.cif
_cod_data_source_block           Cd0.52Cu2Ge1Mn0.48Se4
_cod_original_cell_volume        361.8416
_cod_original_formula_sum        'Cd0.52 Cu2 Ge1 Mn0.48 Se4'
_cod_database_code               1532686
Structural Studies on the Sulfur-Selenium Binary System
Laitinen, R.; Niinisto, L.; Steudel, R.; Acta Chemica Scandinavica, Series A: (28,1974-) 33 (1979) 737–747; doi:

data_1532687
_publ_section_title
;
 Structural Studies on the Sulfur-Selenium Binary System
;
_journal_name_full
'Acta Chemica Scandinavica, Series A: (28,1974-)'
_journal_page_first              737
_journal_page_last               747
_journal_volume                  33
_journal_year                    1979
_chemical_formula_sum            'S3 Se5'
_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                 90.76
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.867
_cell_length_b                   9.31
_cell_length_c                   11.456
_cell_volume                     945.630
_citation_journal_id_ASTM        ACAPCT
_cod_data_source_file            Laitinen_ACAPCT_1979_299.cif
_cod_data_source_block           S3Se5
_cod_original_cell_volume        945.6299
_cod_original_sg_symbol_Hall     '-P 2ybc (x-z,y,z)'
_cod_database_code               1532687
A powder X-ray diffraction study of lead chloride oxalate Pb2 Cl2 (C2 O4): ab initio structure determination and thermal behaviour
Boudaren, C.; Auffredic, J.P.; Louer, M.; Louer, D.; Powder Diffraction 18 (2003) 205–213; doi:

data_1532688
_publ_section_title
;
 A powder X-ray diffraction study of lead chloride oxalate Pb2 Cl2 (C2
 O4): ab initio structure determination and thermal behaviour
;
_journal_name_full               'Powder Diffraction'
_journal_page_first              205
_journal_page_last               213
_journal_volume                  18
_journal_year                    2003
_chemical_formula_sum            'C2 Cl2 O4 Pb2'
_chemical_name_systematic        'Pb2 Cl2 (C2 O4)'
_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                 95.232
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.9411
_cell_length_b                   5.8714
_cell_length_c                   9.4212
_cell_volume                     327.266
_citation_journal_id_ASTM        PODIE2
_cod_data_source_file            Boudaren_PODIE2_2003_1967.cif
_cod_data_source_block           C2Cl2O4Pb2
_cod_original_cell_volume        327.2665
_cod_database_code               1532688
Crystal structure refinement of the semiconducting compound Cu2 Sn Se3 from X-ray powder diffraction data
Delgado, G.E.; Mora, A.J.; Marcano, G.; Rincon, C.; Materials Research Bulletin 38 (2003) 1949–1955; doi:

data_1532689
_publ_section_title
;
 Crystal structure refinement of the semiconducting compound Cu2 Sn Se3
 from X-ray powder diffraction data
;
_journal_name_full               'Materials Research Bulletin'
_journal_page_first              1949
_journal_page_last               1955
_journal_volume                  38
_journal_year                    2003
_chemical_formula_sum            'Cu2 Se3 Sn'
_chemical_name_systematic        'Cu2 (Sn 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                 109.19
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.967
_cell_length_b                   12.0493
_cell_length_c                   6.9453
_cell_volume                     550.643
_citation_journal_id_ASTM        MRBUAC
_cod_data_source_file            Delgado_MRBUAC_2003_539.cif
_cod_data_source_block           Cu2Se3Sn1
_cod_original_formula_sum        'Cu2 Se3 Sn1'
_cod_database_code               1532689
Crystal structure, Mossbauer spectroscopy and magnetic properties of a new potassium iron oxyphosphate K11 Fe15 (P O4)18 O related to the langbeinite-like compounds
Lajmi, B.; Hidouri, M.; Wattiaux, A.; Fournes, L.; Darriet, J.; Ben Amara, M.; Journal of Alloys Compd. 361 (2003) 77–83; doi:

data_1532690
_publ_section_title
;
 Crystal structure, Mossbauer spectroscopy and magnetic properties of a
 new potassium iron oxyphosphate K11 Fe15 (P O4)18 O related to the
 langbeinite-like compounds
;
_journal_name_full               'Journal of Alloys Compd.'
_journal_page_first              77
_journal_page_last               83
_journal_volume                  361
_journal_year                    2003
_chemical_formula_sum            'Fe10 K7.33 O48.66 P12'
_chemical_name_systematic        'K7.33 Fe10 (P O4)12 O0.66'
_space_group_IT_number           198
_symmetry_space_group_name_Hall  'P 2ac 2ab 3'
_symmetry_space_group_name_H-M   'P 21 3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   9.917
_cell_length_b                   9.917
_cell_length_c                   9.917
_cell_volume                     975.306
_citation_journal_id_ASTM        JALCEU
_cod_data_source_file            Lajmi_JALCEU_2003_117.cif
_cod_data_source_block           Fe10K7.33O48.66P12
_cod_database_code               1532690
Synthesis, structure determination from powder diffraction data and thermal behaviour of titanium(IV) oxalate (Ti2 O3 (H2 O)2) (C2 O4) * (H2 O)
Boudaren, C.; Bataille, T.; Auffredic, J.P.; Louer, D.; Solid State Sciences 5 (2003) 175–182; doi:

data_1532691
_publ_section_title
;
 Synthesis, structure determination from powder diffraction data and
 thermal behaviour of titanium(IV) oxalate (Ti2 O3 (H2 O)2) (C2 O4) * (H2
 O)
;
_journal_name_full               'Solid State Sciences'
_journal_page_first              175
_journal_page_last               182
_journal_volume                  5
_journal_year                    2003
_chemical_formula_sum            'C2 H6 O10 Ti2'
_chemical_name_systematic        '(Ti2 O3 (H2 O)2) (C2 O4) (H2 O)'
_space_group_IT_number           64
_symmetry_space_group_name_Hall  '-C 2ac 2'
_symmetry_space_group_name_H-M   'C m c a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   15.494
_cell_length_b                   10.491
_cell_length_c                   9.7
_cell_volume                     1576.711
_citation_journal_id_ASTM        SSSCFJ
_cod_data_source_file            Boudaren_SSSCFJ_2003_974.cif
_cod_data_source_block           C2H6O10Ti2
_cod_database_code               1532691
Magnetic structures of R3 Cu4 Ge4 (R = Tb, Dy, Ho, Er)
Wawrzynska, E.; Szytula, A.; Penc, B.; Hernandez-Velasco, J.; Zygmunt, A.; Journal of Magnetism and Magnetic Materials 264 (2003) 192–201; doi:

data_1532692
_publ_section_title
;
 Magnetic structures of R3 Cu4 Ge4 (R = Tb, Dy, Ho, Er)
;
_journal_name_full               'Journal of Magnetism and Magnetic Materials'
_journal_page_first              192
_journal_page_last               201
_journal_volume                  264
_journal_year                    2003
_chemical_formula_sum            'Cu4 Er3 Ge4'
_chemical_name_systematic        'Er3 Cu4 Ge4'
_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            2
_cell_length_a                   13.789
_cell_length_b                   6.605
_cell_length_c                   4.1524
_cell_volume                     378.185
_citation_journal_id_ASTM        JMMMDC
_cod_data_source_file            Wawrzynska_JMMMDC_2003_835.cif
_cod_data_source_block           Cu4Er3Ge4
_cod_original_cell_volume        378.1854
_cod_database_code               1532692
Crystal structure of (U O2 Se O4 ((C H3) H N C O N H (C H3))2)
Demchenko, E.A.; Mikhailov, Yu.N.; Mit'kovskaya, E.V.; Gorbunova, Yu.E.; Serezhkina, L.B.; Serezhkin, V.N.; Zhurnal Neorganicheskoi Khimii 47 (2002) 1826–1828; doi:

data_1532693
_publ_section_title
;
 Crystal structure of (U O2 Se O4 ((C H3) H N C O N H (C H3))2)
;
_journal_name_full               'Zhurnal Neorganicheskoi Khimii'
_journal_page_first              1826
_journal_page_last               1828
_journal_volume                  47
_journal_year                    2002
_chemical_formula_sum            'C6 H16 N4 O8 Se U'
_chemical_name_systematic
'((U O2) (Se O4)) ((C H3) H N C O N H (C H3))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                 92.96
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.04
_cell_length_b                   14.649
_cell_length_c                   14.383
_cell_volume                     1481.325
_citation_journal_id_ASTM        ZNOKAQ
_cod_data_source_file            Demchenko_ZNOKAQ_2002_1164.cif
_cod_data_source_block           C6H16N4O8Se1U1
_cod_original_sg_symbol_Hall     '-P 2ybc (x-z,y,z)'
_cod_original_formula_sum        'C6 H16 N4 O8 Se1 U1'
_cod_database_code               1532693