LMucko/crystallography-open-database huggingface dataset:
X-ray investigation of the Gd - Zn - Si system
Demchenko, P.; Bodak, O.; Muratova, L.; Journal of Alloys Compd. 346 (2002) 170–175; doi:

data_1531278
_publ_section_title
;
 X-ray investigation of the Gd - Zn - Si system
;
_journal_name_full               'Journal of Alloys Compd.'
_journal_page_first              170
_journal_page_last               175
_journal_volume                  346
_journal_year                    2002
_chemical_formula_sum            'Gd Si Zn'
_chemical_name_systematic        'Gd (Zn Si)'
_space_group_IT_number           191
_symmetry_space_group_name_Hall  '-P 6 2'
_symmetry_space_group_name_H-M   'P 6/m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   4.132
_cell_length_b                   4.132
_cell_length_c                   4.03
_cell_volume                     59.588
_citation_journal_id_ASTM        JALCEU
_cod_data_source_file            Demchenko_JALCEU_2002_561.cif
_cod_data_source_block           Gd1Si1Zn1
_cod_original_cell_volume        59.58766
_cod_original_formula_sum        'Gd1 Si1 Zn1'
_cod_database_code               1531278
The crystal and molecular structure of strontium nitroprusside tetrahydrate
Castellano, E.E.; Piro, O.E.; Rivero, B.E.; Acta Crystallographica B (24,1968-38,1982) 33 (1977) 1725–1728; doi:

data_2106753
_publ_section_title
;
 The crystal and molecular structure of strontium nitroprusside
 tetrahydrate
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              1725
_journal_page_last               1728
_journal_volume                  33
_journal_year                    1977
_chemical_formula_sum            'C5 H8 Fe N6 O5 Sr'
_chemical_name_systematic        'Sr (Fe (C N)5 (N O)) (H2 O)4'
_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                 98.4
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   20.08
_cell_length_b                   7.51
_cell_length_c                   8.42
_cell_volume                     1256.121
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            Castellano_ACBCAR_1977_1500.cif
_cod_data_source_block           C5H8Fe1N6O5Sr1
_cod_depositor_comments
;
 Marking attached hydrogen atoms.

 Antanas Vaitkus,
 2017-03-27
;
_cod_original_formula_sum        'C5 H8 Fe1 N6 O5 Sr1'
_cod_database_code               2106753
Y - Cu - P system
Demchyna, R.O.; Kuz'ma, Yu.B.; Chikhrii, S.I.; Journal of Alloys Compd. 345 (2002) 170–174; doi:

data_1531279
_publ_section_title
;
 Y - Cu - P system
;
_journal_name_full               'Journal of Alloys Compd.'
_journal_page_first              170
_journal_page_last               174
_journal_volume                  345
_journal_year                    2002
_chemical_formula_sum            Y
_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                   3.6631
_cell_length_b                   3.6631
_cell_length_c                   5.8147
_cell_volume                     67.570
_citation_journal_id_ASTM        JALCEU
_cod_data_source_file            Demchyna_JALCEU_2002_543.cif
_cod_data_source_block           Y1
_cod_original_cell_volume        67.57024
_cod_original_formula_sum        Y1
_cod_database_code               1531279
Y - Cu - P system
Demchyna, R.O.; Chikhrii, S.I.; Kuz'ma, Yu.B.; Journal of Alloys Compd. 345 (2002) 170–174; doi:

data_1531280
_publ_section_title
;
 Y - Cu - P system
;
_journal_name_full               'Journal of Alloys Compd.'
_journal_page_first              170
_journal_page_last               174
_journal_volume                  345
_journal_year                    2002
_chemical_formula_sum            'Cu P2 Y'
_chemical_name_systematic        'Y Cu P2'
_space_group_IT_number           67
_symmetry_space_group_name_Hall  '-C 2a 2'
_symmetry_space_group_name_H-M   'C m m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.28918
_cell_length_b                   5.34627
_cell_length_c                   9.69225
_cell_volume                     274.071
_citation_journal_id_ASTM        JALCEU
_cod_data_source_file            Demchyna_JALCEU_2002_544.cif
_cod_data_source_block           Cu1P2Y1
_cod_original_cell_volume        274.0715
_cod_original_formula_sum        'Cu1 P2 Y1'
_cod_database_code               1531280
Close-packed C70(3-) phases - synthesis, structure and electronic properties
Denning, M.S.; Watts, I.D.; Rosseinsky, M.J.; Moussa, S.M.; Durand, P.; Tanigaki, K.; Journal of the American Chemical Society 124 (2002) 5570–5580; doi:

data_4124490
_publ_section_title
;
 Close-packed C70(3-) phases - synthesis, structure and electronic
 properties
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              5570
_journal_page_last               5580
_journal_volume                  124
_journal_year                    2002
_chemical_formula_sum            'C70 Cs1.068 Na2.04'
_chemical_name_systematic        'Na2.04 Cs1.068 C70'
_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                 144.78
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   18.19
_cell_length_b                   10.406
_cell_length_c                   14.86
_cell_volume                     1622.178
_citation_journal_id_ASTM        JACSAT
_cod_data_source_file            Denning_JACSAT_2002_338.cif
_cod_data_source_block           C70Cs1.068Na2.04
_cod_database_code               4124490
Mg6 Ir2 H11, a new metal hydride containing saddle-like (Ir H4)(5-) and square pyramidal (Ir H5)(4-) hydrido complexes
Cerny, R.; Yvon, K.; Joubert, J.M.; Kohlmann, H.; Journal of Alloys Compd. 340 (2002) 180–188; doi:

data_1531281
_publ_section_title
;
 Mg6 Ir2 H11, a new metal hydride containing saddle-like (Ir H4)(5-) and
 square pyramidal (Ir H5)(4-) hydrido complexes
;
_journal_name_full               'Journal of Alloys Compd.'
_journal_page_first              180
_journal_page_last               188
_journal_volume                  340
_journal_year                    2002
_chemical_formula_sum            'D11 Ir2 Mg6'
_chemical_name_systematic        'Mg6 Ir2 D11'
_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                 91
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   10.226
_cell_length_b                   19.234
_cell_length_c                   8.3345
_cell_volume                     1639.037
_citation_journal_id_ASTM        JALCEU
_cod_data_source_file            Cerny_JALCEU_2002_506.cif
_cod_data_source_block           D11Ir2Mg6
_cod_database_code               1531281
Close-packed C70(3-) phases - synthesis, structure and electronic properties
Denning, M.S.; Moussa, S.M.; Watts, I.D.; Rosseinsky, M.J.; Durand, P.; Tanigaki, K.; Journal of the American Chemical Society 124 (2002) 5570–5580; doi:

data_4124491
_publ_section_title
;
 Close-packed C70(3-) phases - synthesis, structure and electronic
 properties
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              5570
_journal_page_last               5580
_journal_volume                  124
_journal_year                    2002
_chemical_formula_sum            'C70 Cs1.09 Na2.24'
_chemical_name_systematic        'Na2.24 Cs1.09 C70'
_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                   14.804
_cell_length_b                   14.804
_cell_length_c                   14.804
_cell_volume                     3244.421
_citation_journal_id_ASTM        JACSAT
_cod_data_source_file            Denning_JACSAT_2002_339.cif
_cod_data_source_block           C70Cs1.09Na2.24
_cod_database_code               4124491
A neutron diffraction study of Nd Fe9.25 Si1.75 Cx compounds
Chang, H.; Yang, Y.-C.; Zhang, X.-D.; Yang, J.-B.; Du Honglin; Li, F.-S.; Ma, Y.; Zhang, B.-S.; Xue, D.-S.; Jiang, J.-S.; Journal of Magnetism and Magnetic Materials 248 (2002) 341–347; doi:

data_1531282
_publ_section_title
;
 A neutron diffraction study of Nd Fe9.25 Si1.75 Cx compounds
;
_journal_name_full               'Journal of Magnetism and Magnetic Materials'
_journal_page_first              341
_journal_page_last               347
_journal_volume                  248
_journal_year                    2002
_chemical_formula_sum            'C1.419 Fe9.253 Nd Si1.747'
_chemical_name_systematic        'Nd Fe9.253 Si1.747 C1.419'
_space_group_IT_number           141
_symmetry_space_group_name_Hall  '-I 4bd 2'
_symmetry_space_group_name_H-M   'I 41/a m d :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.1261
_cell_length_b                   10.1261
_cell_length_c                   6.5564
_cell_volume                     672.279
_citation_journal_id_ASTM        JMMMDC
_cod_data_source_file            Chang_JMMMDC_2002_1714.cif
_cod_data_source_block           C1.419Fe9.253Nd1Si1.747
_cod_original_cell_volume        672.2794
_cod_original_formula_sum        'C1.419 Fe9.253 Nd1 Si1.747'
_cod_database_code               1531282
Close-packed C70(3-) phases - synthesis, structure and electronic properties
Denning, M.S.; Rosseinsky, M.J.; Watts, I.D.; Durand, P.; Moussa, S.M.; Tanigaki, K.; Journal of the American Chemical Society 124 (2002) 5570–5580; doi:

data_4124492
_publ_section_title
;
 Close-packed C70(3-) phases - synthesis, structure and electronic
 properties
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              5570
_journal_page_last               5580
_journal_volume                  124
_journal_year                    2002
_chemical_formula_sum            'C70 Cs1.09 Na2.24'
_chemical_name_systematic        'Na2.24 Cs1.09 C70'
_space_group_IT_number           166
_symmetry_space_group_name_Hall  '-R 3 2"'
_symmetry_space_group_name_H-M   'R -3 m :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   10.32
_cell_length_b                   10.32
_cell_length_c                   26.11
_cell_volume                     2408.224
_citation_journal_id_ASTM        JACSAT
_cod_data_source_file            Denning_JACSAT_2002_340.cif
_cod_data_source_block           C70Cs1.09Na2.24
_cod_database_code               4124492
Thermal expansion in zircon and almandine: synchrotron X-ray diffraction and lattice dynamical study
Chaplot, S.L.; Lausi, A.; Busetto, E.; Mittal, R.; Physical Review, Serie 3. B - Condensed Matter (18,1978-) 66 (2002) 064302-1–064302-5; doi:

data_1531283
_publ_section_title
;
 Thermal expansion in zircon and almandine: synchrotron X-ray diffraction
 and lattice dynamical study
;
_journal_name_full
'Physical Review, Serie 3. B - Condensed Matter (18,1978-)'
_journal_page_first              064302-1
_journal_page_last               064302-5
_journal_volume                  66
_journal_year                    2002
_chemical_formula_sum            'Al2 Fe3 O12 Si3'
_chemical_name_systematic        'Fe3 (Al2 Si3 O12)'
_space_group_IT_number           230
_symmetry_space_group_name_Hall  '-I 4bd 2c 3'
_symmetry_space_group_name_H-M   'I a -3 d'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   11.5004
_cell_length_b                   11.5004
_cell_length_c                   11.5004
_cell_volume                     1521.034
_citation_journal_id_ASTM        PRBMDO
_cod_data_source_file            Chaplot_PRBMDO_2002_1744.cif
_cod_data_source_block           Al2Fe3O12Si3
_cod_database_code               1531283
Close-packed C70(3-) phases - synthesis, structure and electronic properties
Denning, M.S.; Moussa, S.M.; Watts, I.D.; Durand, P.; Tanigaki, K.; Rosseinsky, M.J.; Journal of the American Chemical Society 124 (2002) 5570–5580; doi:

data_4124493
_publ_section_title
;
 Close-packed C70(3-) phases - synthesis, structure and electronic
 properties
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              5570
_journal_page_last               5580
_journal_volume                  124
_journal_year                    2002
_chemical_formula_sum            'C70 Cs0.886 Na1.68'
_chemical_name_systematic        'Na1.68 Cs0.886 C70'
_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                   14.983
_cell_length_b                   14.983
_cell_length_c                   14.983
_cell_volume                     3363.538
_citation_journal_id_ASTM        JACSAT
_cod_data_source_file            Denning_JACSAT_2002_341.cif
_cod_data_source_block           C70Cs0.886Na1.68
_cod_database_code               4124493
A novel family of layered bismuth compounds II: the crystal structures of Pb0.6 Bi1.4 Rb0.6 O2 Z2, Z = Cl, Br and I
Charkin, D.O.; Dytyatev, O.A.; Lightfoot, P.; Dolgikh, V.A.; Journal of Solid State Chemistry 173 (2003) 83–90; doi:

data_1531284
_publ_section_title
;
 A novel family of layered bismuth compounds II: the crystal structures of
 Pb0.6 Bi1.4 Rb0.6 O2 Z2, Z = Cl, Br and I
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              83
_journal_page_last               90
_journal_volume                  173
_journal_year                    2003
_chemical_formula_sum            'Bi1.4 I2 O2 Pb0.6 Rb0.6'
_chemical_name_systematic        '(Pb0.6 Bi1.4) Rb0.6 O2 I2'
_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                   4.0386
_cell_length_b                   4.0386
_cell_length_c                   22.3213
_cell_volume                     364.067
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Charkin_JSSCBI_2003_1619.cif
_cod_data_source_block           Bi1.4I2O2Pb0.6Rb0.6
_cod_original_cell_volume        364.0669
_cod_database_code               1531284
Close-packed C70(3-) phases - synthesis, structure and electronic properties
Denning, M.S.; Watts, I.D.; Rosseinsky, M.J.; Moussa, S.M.; Tanigaki, K.; Durand, P.; Journal of the American Chemical Society 124 (2002) 5570–5580; doi:

data_4124494
_publ_section_title
;
 Close-packed C70(3-) phases - synthesis, structure and electronic
 properties
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              5570
_journal_page_last               5580
_journal_volume                  124
_journal_year                    2002
_chemical_formula_sum            'C70 Cs0.883 Na1.08'
_chemical_name_systematic        'Na1.08 Cs0.883 C70'
_space_group_IT_number           166
_symmetry_space_group_name_Hall  '-R 3 2"'
_symmetry_space_group_name_H-M   'R -3 m :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   10.443
_cell_length_b                   10.443
_cell_length_c                   25.706
_cell_volume                     2427.816
_citation_journal_id_ASTM        JACSAT
_cod_data_source_file            Denning_JACSAT_2002_342.cif
_cod_data_source_block           C70Cs0.883Na1.08
_cod_original_cell_volume        2427.815
_cod_database_code               4124494
A novel family of layered bismuth compounds II: the crystal structures of Pb0.6 Bi1.4 Rb0.6 O2 Z2, Z = Cl, Br and I
Charkin, D.O.; Lightfoot, P.; Dytyatev, O.A.; Dolgikh, V.A.; Journal of Solid State Chemistry 173 (2003) 83–90; doi:

data_1531285
_publ_section_title
;
 A novel family of layered bismuth compounds II: the crystal structures of
 Pb0.6 Bi1.4 Rb0.6 O2 Z2, Z = Cl, Br and I
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              83
_journal_page_last               90
_journal_volume                  173
_journal_year                    2003
_chemical_formula_sum            'Bi1.4 Cl2 O2 Pb0.6 Rb0.6'
_chemical_name_systematic        '(Pb0.6 Bi1.4) Rb0.6 O2 Cl2'
_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                   3.9
_cell_length_b                   3.9
_cell_length_c                   20.078
_cell_volume                     305.386
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Charkin_JSSCBI_2003_1620.cif
_cod_data_source_block           Bi1.4Cl2O2Pb0.6Rb0.6
_cod_original_cell_volume        305.3864
_cod_database_code               1531285
Close-packed C70(3-) phases - synthesis, structure and electronic properties
Denning, M.S.; Moussa, S.M.; Watts, I.D.; Durand, P.; Rosseinsky, M.J.; Tanigaki, K.; Journal of the American Chemical Society 124 (2002) 5570–5580; doi:

data_4124495
_publ_section_title
;
 Close-packed C70(3-) phases - synthesis, structure and electronic
 properties
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              5570
_journal_page_last               5580
_journal_volume                  124
_journal_year                    2002
_chemical_formula_sum            'C70 Cs K2'
_chemical_name_systematic        'K2 Cs C70'
_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                   15.2342
_cell_length_b                   15.2342
_cell_length_c                   15.2342
_cell_volume                     3535.566
_citation_journal_id_ASTM        JACSAT
_cod_data_source_file            Denning_JACSAT_2002_343.cif
_cod_data_source_block           C70Cs1K2
_cod_original_formula_sum        'C70 Cs1 K2'
_cod_database_code               4124495
A neutron diffraction study of niobium dioxide
Cheetham, A.K.; Rao, C.N.R.; Acta Crystallographica B (24,1968-38,1982) 32 (1976) 1579–1580; doi:

data_2106754
_publ_section_title
;
 A neutron diffraction study of niobium dioxide
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              1579
_journal_page_last               1580
_journal_volume                  32
_journal_year                    1976
_chemical_formula_sum            'Nb O2'
_space_group_IT_number           88
_symmetry_space_group_name_Hall  '-I 4ad'
_symmetry_space_group_name_H-M   'I 41/a :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            32
_cell_length_a                   13.696
_cell_length_b                   13.696
_cell_length_c                   5.981
_cell_volume                     1121.918
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            Cheetham_ACBCAR_1976_1178.cif
_cod_data_source_block           Nb1O2
_cod_original_formula_sum        'Nb1 O2'
_cod_database_code               2106754
In situ powder neutron diffraction study of La Ni In D1.63 with short D...D distances
Denys, R.V.; Yartys', V.A.; Riabov, A.B.; Hauback, B.C.; Brinks, H.W.; Journal of Alloys Compd. 356 (2003) 65–68; doi:

data_1531286
_publ_section_title
;
 In situ powder neutron diffraction study of La Ni In D1.63 with short
 D...D distances
;
_journal_name_full               'Journal of Alloys Compd.'
_journal_page_first              65
_journal_page_last               68
_journal_volume                  356
_journal_year                    2003
_chemical_formula_sum            'D1.63 In La Ni'
_chemical_name_systematic        'La Ni In D1.63'
_space_group_IT_number           189
_symmetry_space_group_name_Hall  'P -6 -2'
_symmetry_space_group_name_H-M   'P -6 2 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   7.3874
_cell_length_b                   7.3874
_cell_length_c                   4.6816
_cell_volume                     221.263
_citation_journal_id_ASTM        JALCEU
_cod_data_source_file            Denys_JALCEU_2003_1440.cif
_cod_data_source_block           D1.63In1La1Ni1
_cod_original_cell_volume        221.2627
_cod_original_formula_sum        'D1.63 In1 La1 Ni1'
_cod_database_code               1531286
Synthesis and single crystal structure of H Sm P2 O7 * 4(H2 O)
Chehimi-Moumen, F.; Ferid, M.; Ben Hassen-Chehimi, D.; Trabelsi-Ayadi, M.; Solid State Sciences 4 (2002) 979–983; doi:

data_1531287
_publ_section_title
;
 Synthesis and single crystal structure of H Sm P2 O7 * 4(H2 O)
;
_journal_name_full               'Solid State Sciences'
_journal_page_first              979
_journal_page_last               983
_journal_volume                  4
_journal_year                    2002
_chemical_formula_sum            'H9 O11 P2 Sm'
_chemical_name_systematic        'H Sm (P2 O7) (H2 O)4'
_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                 92.02
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.635
_cell_length_b                   11.529
_cell_length_c                   11.7581
_cell_volume                     898.876
_citation_journal_id_ASTM        SSSCFJ
_cod_data_source_file            Chehimi-Moumen_SSSCFJ_2002_955.cif
_cod_data_source_block           H9O11P2Sm1
_cod_original_sg_symbol_Hall     '-P 2ybc (x-z,y,z)'
_cod_original_formula_sum        'H9 O11 P2 Sm1'
_cod_database_code               1531287