LMucko/crystallography-open-database huggingface dataset:
Das erste Oxoferrat I(III) mit isoliertem Anion: K6 (Fe2 O6)
Riek, H.; Hoppe, R.; Angewandte Chemie (German Edition) 85 (1973) 589–590; doi:

data_1528828
_publ_section_title
;
 Das erste Oxoferrat I(III) mit isoliertem Anion: K6 (Fe2 O6)
;
_journal_name_full               'Angewandte Chemie (German Edition)'
_journal_page_first              589
_journal_page_last               590
_journal_volume                  85
_journal_year                    1973
_chemical_formula_sum            'Fe2 K6 O6'
_chemical_name_systematic        'K6 (Fe2 O6)'
_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                 102.3
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   7.134
_cell_length_b                   11.123
_cell_length_c                   6.515
_cell_volume                     505.108
_citation_journal_id_ASTM        ANCEAD
_cod_data_source_file            Riek_ANCEAD_1973_127.cif
_cod_data_source_block           Fe2K6O6
_cod_database_code               1528828
Structural and electronic characterizations of two isomers of Ce@C82
Rikiishi, Y.; Kubozono, Y.; Hosokawa, T.; Takabayashi, Y.; Fujiwara, A.; Shibata, K.; Haruyama, Y.; Iwasa, Y.; Kobayashi, S.; Mori, S.; J. Phys. Chem. B 108 (2004) 7580–7585; doi:

data_1528829
_publ_section_title
;
 Structural and electronic characterizations of two isomers of Ce@C82
;
_journal_name_full               'J. Phys. Chem. B'
_journal_page_first              7580
_journal_page_last               7585
_journal_volume                  108
_journal_year                    2004
_chemical_formula_sum            'C82 Ce'
_chemical_name_systematic        'Ce C82'
_space_group_IT_number           205
_symmetry_space_group_name_Hall  '-P 2ac 2ab 3'
_symmetry_space_group_name_H-M   'P a -3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   15.78
_cell_length_b                   15.78
_cell_length_c                   15.78
_cell_volume                     3929.353
_citation_journal_id_ASTM        JPCBFK
_cod_data_source_file            Rikiishi_JPCBFK_2004_587.cif
_cod_data_source_block           C82Ce1
_cod_original_cell_volume        3929.352
_cod_original_formula_sum        'C82 Ce1'
_cod_database_code               1528829
Crystal structure of alpha Zn2 P2 O7
Robertson, B.E.; Calvo, C.; Journal of Solid State Chemistry 1 (1970) 120–133; doi:

data_1528830
_publ_section_title
;
 Crystal structure of alpha Zn2 P2 O7
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              120
_journal_page_last               133
_journal_volume                  1
_journal_year                    1970
_chemical_formula_sum            'O7 P2 Zn2'
_chemical_name_systematic        'Zn2 (P2 O7)'
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-I 2yc'
_symmetry_space_group_name_H-M   'I 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 106.35
_cell_angle_gamma                90
_cell_formula_units_Z            12
_cell_length_a                   20.068
_cell_length_b                   8.259
_cell_length_c                   9.099
_cell_volume                     1447.096
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Robertson_JSSCBI_1970_1925.cif
_cod_data_source_block           O7P2Zn2
_cod_original_sg_symbol_Hall     '-C 2yc (x,y,-x+z)'
_cod_database_code               1528830
High-temperature crystal chemistry of V2 O3 and 1% chromium- doped V2 O3
Robinson, W.R.; Acta Crystallographica B (24,1968-38,1982) 31 (1975) 1153–1160; doi:

data_2106583
_publ_section_title
;
 High-temperature crystal chemistry of V2 O3 and 1% chromium- doped V2 O3
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              1153
_journal_page_last               1160
_journal_volume                  31
_journal_year                    1975
_chemical_formula_sum            'O3 V2'
_chemical_name_systematic        'V2 O3'
_space_group_IT_number           167
_symmetry_space_group_name_Hall  '-R 3 2"c'
_symmetry_space_group_name_H-M   'R -3 c :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            6
_cell_length_a                   4.9776
_cell_length_b                   4.9776
_cell_length_c                   13.9647
_cell_volume                     299.642
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            Robinson_ACBCAR_1975_1958.cif
_cod_data_source_block           O3V2
_cod_original_cell_volume        299.6417
_cod_database_code               2106583
High-temperature crystal chemistry of V2 O3 and 1% chromium-doped V2 O3
Robinson, W.R.; Acta Crystallographica B (24,1968-38,1982) 31 (1975) 1153–1160; doi:

data_2106584
_publ_section_title
;
 High-temperature crystal chemistry of V2 O3 and 1% chromium-doped V2 O3
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              1153
_journal_page_last               1160
_journal_volume                  31
_journal_year                    1975
_chemical_formula_sum            'Cr0.02 O3 V1.98'
_chemical_name_systematic        '(Cr0.01 V0.99)2 O3'
_space_group_IT_number           167
_symmetry_space_group_name_Hall  '-R 3 2"c'
_symmetry_space_group_name_H-M   'R -3 c :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            6
_cell_length_a                   4.9974
_cell_length_b                   4.9974
_cell_length_c                   13.926
_cell_volume                     301.193
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            Robinson_ACBCAR_1975_1962.cif
_cod_data_source_block           Cr0.02O3V1.98
_cod_original_cell_volume        301.1932
_cod_database_code               2106584
Structural studies of Tc O2 by neutron powder diffraction and first-principles calculation
Rodriguez, E.E.; Poineau, F.; Llobet, A.; Sattelberger, A.P.; Bhattacharjee, J.; Waghmare, U.V.; Hartmann, T.; Cheetham, A.K.; Journal of the American Chemical Society 129 (2007) 10244–10248; doi:

data_4124108
_publ_section_title
;
 Structural studies of Tc O2 by neutron powder diffraction and
 first-principles calculation
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              10244
_journal_page_last               10248
_journal_volume                  129
_journal_year                    2007
_chemical_formula_sum            'O2 Tc'
_chemical_name_systematic        'Tc O2'
_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                 121.4532
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.68908
_cell_length_b                   4.75461
_cell_length_c                   5.51948
_cell_volume                     127.361
_citation_journal_id_ASTM        JACSAT
_cod_data_source_file            Rodriguez_JACSAT_2007_1343.cif
_cod_data_source_block           O2Tc1
_cod_original_cell_volume        127.3615
_cod_original_formula_sum        'O2 Tc1'
_cod_database_code               4124108
The crystal structure of uranyl dihydroxide, U O2 (O H)2
Roof, R.B.jr.; Cromer, D.T.; Larson, A.C.; Acta Crystallographica (1,1948-23,1967) 17 (1964) 701–705; doi:

data_2310655
_publ_section_title
;
 The crystal structure of uranyl dihydroxide, U O2 (O H)2
;
_journal_name_full               'Acta Crystallographica (1,1948-23,1967)'
_journal_page_first              701
_journal_page_last               705
_journal_volume                  17
_journal_year                    1964
_chemical_formula_sum            'H2 O4 U'
_chemical_name_systematic        '(U O2) (O H)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                   5.635
_cell_length_b                   6.285
_cell_length_c                   9.919
_cell_volume                     351.291
_citation_journal_id_ASTM        ACCRA9
_cod_data_source_file            Roof_ACCRA9_1964_148.cif
_cod_data_source_block           H2O4U1
_cod_original_formula_sum        'H2 O4 U1'
_cod_database_code               2310655
The Structure of Mercuric Oxide
Roth, W.L.; Acta Crystallographica (1,1948-23,1967) 9 (1956) 277–280; doi:

data_2310656
_publ_section_title
;
 The Structure of Mercuric Oxide
;
_journal_name_full               'Acta Crystallographica (1,1948-23,1967)'
_journal_page_first              277
_journal_page_last               280
_journal_volume                  9
_journal_year                    1956
_chemical_formula_sum            'Hg O'
_space_group_IT_number           44
_symmetry_space_group_name_Hall  'I 2 -2'
_symmetry_space_group_name_H-M   'I m m 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   3.311
_cell_length_b                   5.526
_cell_length_c                   3.526
_cell_volume                     64.514
_citation_journal_id_ASTM        ACCRA9
_cod_data_source_file            Roth_ACCRA9_1956_190.cif
_cod_data_source_block           Hg1O1
_cod_original_cell_volume        64.51376
_cod_original_formula_sum        'Hg1 O1'
_cod_database_code               2310656
Mixed oxides of titanium and niobium: the crystal structure of Ti Nb24 O62 (Ti O2.12 Nb2 O5)
Roth, R.S.; Wadsley, A.D.; Acta Crystallographica (1,1948-23,1967) 18 (1965) 724–730; doi:

data_2310657
_publ_section_title
;
 Mixed oxides of titanium and niobium: the crystal structure of Ti Nb24
 O62 (Ti O2.12 Nb2 O5)
;
_journal_name_full               'Acta Crystallographica (1,1948-23,1967)'
_journal_page_first              724
_journal_page_last               730
_journal_volume                  18
_journal_year                    1965
_chemical_formula_sum            'Nb24 O62 Ti'
_chemical_name_systematic        'Ti Nb24 O62'
_space_group_IT_number           5
_symmetry_space_group_name_Hall  'C 2y'
_symmetry_space_group_name_H-M   'C 1 2 1'
_cell_angle_alpha                90
_cell_angle_beta                 94.9
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   29.78
_cell_length_b                   3.821
_cell_length_c                   21.12
_cell_volume                     2394.449
_citation_journal_id_ASTM        ACCRA9
_cod_data_source_file            Roth_ACCRA9_1965_1883.cif
_cod_data_source_block           Nb24O62Ti1
_cod_original_formula_sum        'Nb24 O62 Ti1'
_cod_database_code               2310657
The crystal structure of Boleite
Rouse, R.C.; Journal of Solid State Chemistry 6 (1973) 86–92; doi:

data_1528831
_publ_section_title
;
 The crystal structure of Boleite
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              86
_journal_page_last               92
_journal_volume                  6
_journal_year                    1973
_chemical_formula_sum            'Ag9 Cl62 Cu24 H48 O48 Pb26'
_chemical_name_mineral           Boleite
_chemical_name_systematic        'Pb26 Ag9 Cu24 Cl62 (O H)48'
_space_group_IT_number           221
_symmetry_space_group_name_Hall  '-P 4 2 3'
_symmetry_space_group_name_H-M   'P m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   15.29
_cell_length_b                   15.29
_cell_length_c                   15.29
_cell_volume                     3574.559
_citation_journal_id_ASTM        JSSCBI
_database_code_amcsd             0019811
_exptl_crystal_density_diffrn    5.062
_cod_data_source_file            Rouse_JSSCBI_1973_1774.cif
_cod_data_source_block           H48Ag9Cl62Cu24O48Pb26
_cod_original_formula_sum        'H48 Ag9 Cl62 Cu24 O48 Pb26'
_cod_database_code               1528831
Crystal structure of centrosymmetric 12-layer sodium-rich eudialyte
Rozenberg, K.A.; Rastsvetaeva, R.K.; Verin, I.A.; Kristallografiya 54 (2009) 446–450; doi:

data_1528832
_publ_section_title
;
 Crystal structure of centrosymmetric 12-layer sodium-rich eudialyte
;
_journal_name_full               Kristallografiya
_journal_page_first              446
_journal_page_last               450
_journal_volume                  54
_journal_year                    2009
_chemical_formula_sum
'Ca1.3 Ce0.1 Cl2.17 Fe0.25 H35.82 K0.03 Mn0.38 Na5.73 Nb0.07 O73.09 Si24.37 Sr0.2 Ti0.07 Zr'
_chemical_name_systematic
;
Na5.73 Sr0.2 K0.03 Ca1.3 Ce0.1 Mn0.38 Ti0.07 Nb0.07 Zr Fe0.25 (Si24.37 O72) 
O1.09 Cl2.17 H35.82
;
_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                   14.226
_cell_length_b                   14.226
_cell_length_c                   30.339
_cell_volume                     5317.378
_citation_journal_id_ASTM        KRISAJ
_cod_data_source_file            Rozenberg_KRISAJ_2009_1743.cif
_cod_data_source_block
H35.82Ca1.3Ce0.1Cl2.17Fe0.25K0.03Mn0.38Na5.73Nb0.07O73.09Si24.37Sr0.2Ti0.07Zr1
_cod_original_cell_volume        5317.377
_cod_original_formula_sum
;
H35.82 Ca1.3 Ce0.1 Cl2.17 Fe0.25 K0.03 Mn0.38 Na5.73 Nb0.07 O73.09 Si24.37 
Sr0.2 Ti0.07 Zr1
;
_cod_database_code               1528832
Ionic diffusion mastering using crystal-chemistry parameters: tau-Cu1/2 Ag1/2 V2 O5 structure determination and comparison with refined delta-Ag(x) V2 O5 and epsilon-Cu(x) V2 O5 ones
Rozier, P.; Dolle, M.; Galy, J.; Journal of Solid State Chemistry 182 (2009) 1481–1491; doi:

data_1528833
_publ_section_title
;
 Ionic diffusion mastering using crystal-chemistry parameters: tau-Cu1/2
 Ag1/2 V2 O5 structure determination and comparison with refined
 delta-Ag(x) V2 O5 and epsilon-Cu(x) V2 O5 ones
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              1481
_journal_page_last               1491
_journal_volume                  182
_journal_year                    2009
_chemical_formula_sum            'Cu0.95 O5 V2'
_chemical_name_systematic        'Cu0.95 V2 O5'
_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                 111.573
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.765
_cell_length_b                   3.6943
_cell_length_c                   8.9712
_cell_volume                     362.605
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Rozier_JSSCBI_2009_1760.cif
_cod_data_source_block           Cu0.95O5V2
_cod_original_cell_volume        362.6053
_cod_database_code               1528833
Structure of Tris(urea)dioxouranium(VI) Sulfate, U O2 (O C (N H2)2)3 S O4
Ruben, H.; Spencer, B.; Templeton, D.H.; Inorganic Chemistry 19 (1980) 776–777; doi:

data_4343901
_publ_section_title
;
 Structure of Tris(urea)dioxouranium(VI) Sulfate, U O2 (O C (N H2)2)3 S O4
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              776
_journal_page_last               777
_journal_volume                  19
_journal_year                    1980
_chemical_formula_sum            'C3 H12 N6 O9 S U'
_chemical_name_systematic        'U O2 (O C (N H2)2)3 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                 91.06
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.619
_cell_length_b                   24.706
_cell_length_c                   6.928
_cell_volume                     1303.869
_citation_journal_id_ASTM        INOCAJ
_cod_data_source_file            Ruben_INOCAJ_1980_87.cif
_cod_data_source_block           C3H12N6O9S1U1
_cod_original_sg_symbol_Hall     '-P 2ybc (x-z,y,z)'
_cod_original_formula_sum        'C3 H12 N6 O9 S1 U1'
_cod_database_code               4343901
On the crystal structures of the nitrides of silicon and germanium
Ruddlesden, S.N.; Popper, P.; Acta Crystallographica (1,1948-23,1967) 11 (1958) 465–468; doi:

data_2310658
_publ_section_title
;
 On the crystal structures of the nitrides of silicon and germanium
;
_journal_name_full               'Acta Crystallographica (1,1948-23,1967)'
_journal_page_first              465
_journal_page_last               468
_journal_volume                  11
_journal_year                    1958
_chemical_formula_sum            'N4 Si3'
_chemical_name_systematic        'Si3 N4'
_space_group_IT_number           159
_symmetry_space_group_name_Hall  'P 3 -2c'
_symmetry_space_group_name_H-M   'P 3 1 c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            4
_cell_length_a                   7.753
_cell_length_b                   7.753
_cell_length_c                   5.618
_cell_volume                     292.450
_citation_journal_id_ASTM        ACCRA9
_cod_data_source_file            Ruddlesden_ACCRA9_1958_265.cif
_cod_data_source_block           N4Si3
_cod_original_cell_volume        292.4502
_cod_database_code               2310658
Stacking Variants of Mn P4: Preparation and Structure of 6-Mn P4
Ruehl, R.; Jeitschko, W.; Acta Crystallographica B (24,1968-38,1982) 37 (1981) 39–44; doi:

data_2106585
_publ_section_title
;
 Stacking Variants of Mn P4: Preparation and Structure of 6-Mn P4
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              39
_journal_page_last               44
_journal_volume                  37
_journal_year                    1981
_chemical_formula_sum            'Mn P4'
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                115.66
_cell_angle_beta                 95.15
_cell_angle_gamma                89.21
_cell_formula_units_Z            6
_cell_length_a                   16.347
_cell_length_b                   5.847
_cell_length_c                   5.108
_cell_volume                     438.130
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            Ruehl_ACBCAR_1981_47.cif
_cod_data_source_block           Mn1P4
_cod_original_cell_volume        438.1304
_cod_original_formula_sum        'Mn1 P4'
_cod_database_code               2106585
New synthesis route to and physical properties of lanthanum monoiodide
Ryazanov, M.; Kienle, L.; Mattausch, H.J.; Simon, A.; Inorganic Chemistry 45 (2006) 2068–2074; doi:

data_4343902
_publ_section_title
;
 New synthesis route to and physical properties of lanthanum monoiodide
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              2068
_journal_page_last               2074
_journal_volume                  45
_journal_year                    2006
_chemical_formula_sum            'I La'
_chemical_name_systematic        'La I'
_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                   3.9292
_cell_length_b                   3.9292
_cell_length_c                   9.712
_cell_volume                     129.852
_citation_journal_id_ASTM        INOCAJ
_cod_data_source_file            Ryazanov_INOCAJ_2006_724.cif
_cod_data_source_block           I1La1
_cod_original_cell_volume        129.8517
_cod_original_formula_sum        'I1 La1'
_cod_database_code               4343902
Anion and cation disorder in [C N3 H6].(Ta F6)
Saada, M.A.; Hemon-Ribaud, A.; Leblanc, M.; Maisonneuve, V.; Solid State Sciences 7 (2005) 1070–1073; doi:

data_1528834
_publ_section_title
;
 Anion and cation disorder in [C N3 H6].(Ta F6)
;
_journal_name_full               'Solid State Sciences'
_journal_page_first              1070
_journal_page_last               1073
_journal_volume                  7
_journal_year                    2005
_chemical_formula_sum            'C H6 F6 N3 Ta'
_chemical_name_systematic        '(C N3 H6) (Ta F6)'
_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                   8.6475
_cell_length_b                   8.6475
_cell_length_c                   8.507
_cell_volume                     550.920
_citation_journal_id_ASTM        SSSCFJ
_cod_data_source_file            Saada_SSSCFJ_2005_1014.cif
_cod_data_source_block           C1H6F6N3Ta1
_cod_original_cell_volume        550.9196
_cod_original_formula_sum        'C1 H6 F6 N3 Ta1'
_cod_database_code               1528834
The Crystal Structure of alpha-Lead Azide, alpha-Pb (N3)2
Saha, P.; Indian Journal of Physics and Proceedings of the Indian Association for the Cultivation of Science 39 (1965) 494–497; doi:

data_1528835
_publ_section_title
;
 The Crystal Structure of alpha-Lead Azide, alpha-Pb (N3)2
;
_journal_name_full
;
Indian Journal of Physics and Proceedings of the Indian Association for the 
Cultivation of Science
;
_journal_page_first              494
_journal_page_last               497
_journal_volume                  39
_journal_year                    1965
_chemical_formula_sum            'N6 Pb'
_chemical_name_systematic        'Pb (N3)2'
_space_group_IT_number           33
_symmetry_space_group_name_Hall  'P 2c -2n'
_symmetry_space_group_name_H-M   'P n a 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            12
_cell_length_a                   6.65
_cell_length_b                   11.37
_cell_length_c                   16.32
_cell_volume                     1233.963
_citation_journal_id_ASTM        IJPYAS
_cod_data_source_file            Saha_IJPYAS_1965_348.cif
_cod_data_source_block           N6Pb1
_cod_original_formula_sum        'N6 Pb1'
_cod_database_code               1528835