LMucko/crystallography-open-database huggingface dataset:
Structure determination of alpha-quartz up to 68*10exp8 Pa
d'Amour, H.; Denner, W.; Schulz, H.; Acta Crystallographica B (24,1968-38,1982) 35 (1979) 550–555; doi:

data_2106355
_publ_section_title
;
 Structure determination of alpha-quartz up to 68*10exp8 Pa
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              550
_journal_page_last               555
_journal_volume                  35
_journal_year                    1979
_chemical_formula_sum            'O2 Si'
_chemical_name_systematic        'Si O2'
_space_group_IT_number           154
_symmetry_space_group_name_Hall  'P 32 2"'
_symmetry_space_group_name_H-M   'P 32 2 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   4.765
_cell_length_b                   4.765
_cell_length_c                   5.296
_cell_volume                     104.137
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            dAmour_ACBCAR_1979_2000.cif
_cod_data_source_block           O2Si1
_cod_original_cell_volume        104.1368
_cod_original_formula_sum        'O2 Si1'
_cod_database_code               2106355
Die Kristallstruktur des Ammoniumparawolframat-tetrahydrats (N H4)10 H2 W12 O42 (H2 O)4
d'Amour, H.; Allmann, R.; Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) 136 (1972) 23–47; doi:

data_8103660
_publ_section_title
;
 Die Kristallstruktur des Ammoniumparawolframat-tetrahydrats (N H4)10 H2
 W12 O42 (H2 O)4
;
_journal_name_full
;
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, 
Kristallchemie (-144,1977)
;
_journal_page_first              23
_journal_page_last               47
_journal_volume                  136
_journal_year                    1972
_chemical_formula_sum            'H50 N10 O46 W12'
_chemical_name_systematic        '(N H4)10 H2 (W12 O42) (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                 109.4
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   15.08
_cell_length_b                   14.45
_cell_length_c                   11
_cell_volume                     2260.873
_citation_journal_id_ASTM        ZEKGAX
_cod_data_source_file            dAmour_ZEKGAX_1972_1323.cif
_cod_data_source_block           H50N10O46W12
_cod_original_sg_symbol_Hall     '-P 2ybc (x-z,y,z)'
_cod_database_code               8103660
Reinvestigation of the crystal structure of lithium iodate
de Boer, J.L.; van Bolhuis, F.; Olthof-Hazekamp, R.; Vos, A.; Acta Crystallographica (1,1948-23,1967) 21 (1966) 841–843; doi:

data_2310421
_publ_section_title
;
 Reinvestigation of the crystal structure of lithium iodate
;
_journal_name_full               'Acta Crystallographica (1,1948-23,1967)'
_journal_page_first              841
_journal_page_last               843
_journal_volume                  21
_journal_year                    1966
_chemical_formula_sum            'I Li O3'
_chemical_name_systematic        'Li (I O3)'
_space_group_IT_number           173
_symmetry_space_group_name_Hall  'P 6c'
_symmetry_space_group_name_H-M   'P 63'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   5.478
_cell_length_b                   5.478
_cell_length_c                   5.17
_cell_volume                     134.359
_citation_journal_id_ASTM        ACCRA9
_cod_data_source_file            deBoer_ACCRA9_1966_1083.cif
_cod_data_source_block           I1Li1O3
_cod_original_cell_volume        134.3585
_cod_original_formula_sum        'I1 Li1 O3'
_cod_database_code               2310421
Structure and phase transitions of molybdenum(III) sulfide and some related phases
de Jonge, R.; Popma, T.J.A.; Wiegers, G.A.; Jellinek, F.; Journal of Solid State Chemistry 2 (1970) 188–192; doi:

data_1527605
_publ_section_title
;
 Structure and phase transitions of molybdenum(III) sulfide and some
 related phases
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              188
_journal_page_last               192
_journal_volume                  2
_journal_year                    1970
_chemical_formula_sum            'Mo2 S3'
_chemical_name_systematic        'Mo2.06 S3'
_space_group_IT_number           11
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 102.43
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   6.092
_cell_length_b                   3.208
_cell_length_c                   8.6335
_cell_volume                     164.771
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            deJonge_JSSCBI_1970_1946.cif
_cod_data_source_block           Mo2S3
_cod_original_cell_volume        164.7707
_cod_database_code               1527605
Disordered structure of Na2 C O3 at 400 C
de Pater, C.J.; Physica B and C (Netherland) (79,1975-) 96 (1979) 89–95; doi:

data_1527606
_publ_section_title
;
 Disordered structure of Na2 C O3 at 400 C
;
_journal_name_full               'Physica B and C (Netherland) (79,1975-)'
_journal_page_first              89
_journal_page_last               95
_journal_volume                  96
_journal_year                    1979
_chemical_formula_sum            'C Na2 O3'
_chemical_name_systematic        'Na2 (C O3)'
_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                 96.83
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.013
_cell_length_b                   5.237
_cell_length_c                   6.312
_cell_volume                     295.819
_citation_journal_id_ASTM        PHBCDQ
_cod_data_source_file            dePater_PHBCDQ_1979_695.cif
_cod_data_source_block           C1Na2O3
_cod_original_cell_volume        295.8189
_cod_original_formula_sum        'C1 Na2 O3'
_cod_database_code               1527606
Refinement of the structure of low and high hyalophanes
de Pieri, R.; Quareni, S.; Hall, K.M.; Acta Crystallographica B (24,1968-38,1982) 33 (1977) 3073–3076; doi:

data_2106356
_publ_section_title
;
 Refinement of the structure of low and high hyalophanes
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              3073
_journal_page_last               3076
_journal_volume                  33
_journal_year                    1977
_chemical_formula_sum            'Al1.42 Ba0.4 K0.6 O8 Si2.58'
_chemical_name_systematic        'K.6 Ba.4 Al1.42 Si2.58 O8'
_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                 115.63
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.556
_cell_length_b                   13.045
_cell_length_c                   7.189
_cell_volume                     723.436
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            dePieri_ACBCAR_1977_696.cif
_cod_data_source_block           Al1.42Ba0.4K0.6O8Si2.58
_cod_original_cell_volume        723.4362
_cod_database_code               2106356
The crystal structure of gamma- Cd (O H)2
de Wolff, P.M.; Acta Crystallographica (1,1948-23,1967) 21 (1966) 432–433; doi:

data_2310422
_publ_section_title
;
 The crystal structure of gamma- Cd (O H)2
;
_journal_name_full               'Acta Crystallographica (1,1948-23,1967)'
_journal_page_first              432
_journal_page_last               433
_journal_volume                  21
_journal_year                    1966
_chemical_formula_sum            'Cd H2 O2'
_chemical_name_systematic        'Cd (O H)2'
_space_group_IT_number           8
_symmetry_space_group_name_Hall  'I -2y'
_symmetry_space_group_name_H-M   'I 1 m 1'
_cell_angle_alpha                90
_cell_angle_beta                 91.4
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.67
_cell_length_b                   10.25
_cell_length_c                   3.41
_cell_volume                     198.122
_citation_journal_id_ASTM        ACCRA9
_cod_data_source_file            deWolff_ACCRA9_1966_1072.cif
_cod_data_source_block           H2Cd1O2
_cod_original_cell_volume        198.1215
_cod_original_sg_symbol_Hall     'C -2y (x,y,-x+z)'
_cod_original_formula_sum        'H2 Cd1 O2'
_cod_database_code               2310422
The crystal structure of the compound Cs2 Ce Cl6
Kaatz, T.; Marcovich, M.; Acta Crystallographica (1,1948-23,1967) 21 (1966) 1011–1011; doi:

data_2310423
_publ_section_title
;
 The crystal structure of the compound Cs2 Ce Cl6
;
_journal_name_full               'Acta Crystallographica (1,1948-23,1967)'
_journal_page_first              1011
_journal_page_last               1011
_journal_volume                  21
_journal_year                    1966
_chemical_formula_sum            'Ce Cl6 Cs2'
_chemical_name_systematic        'Cs2 Ce Cl6'
_space_group_IT_number           164
_symmetry_space_group_name_Hall  '-P 3 2"'
_symmetry_space_group_name_H-M   'P -3 m 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   7.476
_cell_length_b                   7.476
_cell_length_c                   6.039
_cell_volume                     292.304
_citation_journal_id_ASTM        ACCRA9
_cod_data_source_file            Kaatz_ACCRA9_1966_1079.cif
_cod_data_source_block           Ce1Cl6Cs2
_cod_original_cell_volume        292.3036
_cod_original_formula_sum        'Ce1 Cl6 Cs2'
_cod_database_code               2310423
Crystal structure of copper(I) thiocyanate and its relation to the crystal structure of copper(II) diammine dithiocyanate complex
Kabesova, M.; Dunaj-Jurco, M.; Serator, M.; Gazo, J.; Inorganica Chimica Acta 17 (1976) 161–165; doi:

data_1527607
_publ_section_title
;
 Crystal structure of copper(I) thiocyanate and its relation to the
 crystal structure of copper(II) diammine dithiocyanate complex
;
_journal_name_full               'Inorganica Chimica Acta'
_journal_page_first              161
_journal_page_last               165
_journal_volume                  17
_journal_year                    1976
_chemical_formula_sum            'C Cu N S'
_chemical_name_systematic        'Cu (S C N)'
_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            8
_cell_length_a                   10.994
_cell_length_b                   7.224
_cell_length_c                   6.662
_cell_volume                     529.100
_citation_journal_id_ASTM        ICHAA3
_cod_data_source_file            Kabesova_ICHAA3_1976_716.cif
_cod_data_source_block           C1Cu1N1S1
_cod_original_cell_volume        529.1005
_cod_original_formula_sum        'C1 Cu1 N1 S1'
_cod_database_code               1527607
The crystal structure of alpha-Mg2 P2 O7
Calvo, C.; Acta Crystallographica (1,1948-23,1967) 23 (1967) 289–295; doi:

data_2310424
_publ_section_title
;
 The crystal structure of alpha-Mg2 P2 O7
;
_journal_name_full               'Acta Crystallographica (1,1948-23,1967)'
_journal_page_first              289
_journal_page_last               295
_journal_volume                  23
_journal_year                    1967
_chemical_formula_sum            'Mg2 O7 P2'
_chemical_name_systematic        'Mg2 (P2 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                 104.9
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   13.198
_cell_length_b                   8.295
_cell_length_c                   9.072
_cell_volume                     959.784
_citation_journal_id_ASTM        ACCRA9
_cod_data_source_file            Calvo_ACCRA9_1967_1383.cif
_cod_data_source_block           Mg2O7P2
_cod_original_cell_volume        959.7844
_cod_original_sg_symbol_Hall     '-P 2ybc '
_cod_database_code               2310424
Spin-glas-like behaviour in U2 T Si3 (T= Fe, Co, Ni or Cu) intermetallics with distorted Al B2- and alpha-Th Si2-type structure
Kaczorowski, D.; Noel, H.; Journal of Physics: Condensed Matter 5 (1993) 9185–9195; doi:

data_1527608
_publ_section_title
;
 Spin-glas-like behaviour in U2 T Si3 (T= Fe, Co, Ni or Cu) intermetallics
 with distorted Al B2- and alpha-Th Si2-type structure
;
_journal_name_full               'Journal of Physics: Condensed Matter'
_journal_page_first              9185
_journal_page_last               9195
_journal_volume                  5
_journal_year                    1993
_chemical_formula_sum            'Co0.5 Si1.5 U'
_chemical_name_systematic        '(Co0.25 Si0.75)2 U'
_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                   3.988
_cell_length_b                   3.988
_cell_length_c                   3.883
_cell_volume                     53.482
_citation_journal_id_ASTM        JCOMEL
_cod_data_source_file            Kaczorowski_JCOMEL_1993_364.cif
_cod_data_source_block           Co0.5Si1.5U1
_cod_original_cell_volume        53.48208
_cod_original_formula_sum        'Co0.5 Si1.5 U1'
_cod_database_code               1527608
The crystal structure of potassium triselenocyanate hemihydrate
Hauge, S.; Sletten, J.; Acta Chemica Scandinavica (1-27,1973-42,1988) 25 (1971) 3094–3102; doi:

data_1527609
_publ_section_title
;
 The crystal structure of potassium triselenocyanate hemihydrate
;
_journal_name_full
'Acta Chemica Scandinavica (1-27,1973-42,1988)'
_journal_page_first              3094
_journal_page_last               3102
_journal_volume                  25
_journal_year                    1971
_chemical_formula_sum            'C3 H K N3 O0.5 Se3'
_chemical_name_systematic        'K (Se C N)3 (H2 O)0.5'
_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                 95.7
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   16.988
_cell_length_b                   4.443
_cell_length_c                   23.59
_cell_volume                     1771.715
_citation_journal_id_ASTM        ACSAA4
_cod_data_source_file            Hauge_ACSAA4_1971_1220.cif
_cod_data_source_block           C3H1K1N3O0.5Se3
_cod_original_sg_symbol_Hall     'C 2y '
_cod_original_sg_symbol_H-M      'C 1 2 1 '
_cod_original_formula_sum        'C3 H1 K1 N3 O0.5 Se3'
_cod_database_code               1527609
The system niobium-sulfur
Kadijk, F.; Jellinek, F.; Journal of the Less-Common Metals 19 (1969) 421–430; doi:

data_1527610
_publ_section_title
;
 The system niobium-sulfur
;
_journal_name_full               'Journal of the Less-Common Metals'
_journal_page_first              421
_journal_page_last               430
_journal_volume                  19
_journal_year                    1969
_chemical_formula_sum            'Nb0.9 S'
_chemical_name_systematic        'Nb0.92 S'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2n 2ac'
_symmetry_space_group_name_H-M   'P c m n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.845
_cell_length_b                   3.334
_cell_length_c                   6.396
_cell_volume                     124.640
_citation_journal_id_ASTM        JCOMAH
_cod_data_source_file            Kadijk_JCOMAH_1969_1602.cif
_cod_data_source_block           Nb0.9S1
_cod_original_cell_volume        124.6403
_cod_original_sg_symbol_Hall     '-P 2ac 2n (z,y,-x)'
_cod_original_formula_sum        'Nb0.9 S1'
_cod_database_code               1527610
The system niobium-sulfur
Kadijk, F.; Jellinek, F.; Journal of the Less-Common Metals 19 (1969) 421–430; doi:

data_1527611
_publ_section_title
;
 The system niobium-sulfur
;
_journal_name_full               'Journal of the Less-Common Metals'
_journal_page_first              421
_journal_page_last               430
_journal_volume                  19
_journal_year                    1969
_chemical_formula_sum            'Nb0.92 S'
_space_group_IT_number           186
_symmetry_space_group_name_Hall  'P 6c -2c'
_symmetry_space_group_name_H-M   'P 63 m c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            8
_cell_length_a                   6.702
_cell_length_b                   6.702
_cell_length_c                   6.405
_cell_volume                     249.149
_citation_journal_id_ASTM        JCOMAH
_cod_data_source_file            Kadijk_JCOMAH_1969_1603.cif
_cod_data_source_block           Nb0.92S1
_cod_original_cell_volume        249.1487
_cod_original_formula_sum        'Nb0.92 S1'
_cod_database_code               1527611
X-ray diffraction study of the new heavy fermion substance Ce In Cu2 at high pressure
Kagayama, T.; Suenaga, K.; Komatsubara, T.; Onuki, Y.; Oomi, G.; Journal of Magnetism and Magnetic Materials 90 (1990) 451–452; doi:

data_1527612
_publ_section_title
;
 X-ray diffraction study of the new heavy fermion substance Ce In Cu2 at
 high pressure
;
_journal_name_full               'Journal of Magnetism and Magnetic Materials'
_journal_page_first              451
_journal_page_last               452
_journal_volume                  90
_journal_year                    1990
_chemical_formula_sum            'Ce Cu2 In'
_space_group_IT_number           225
_symmetry_space_group_name_Hall  '-F 4 2 3'
_symmetry_space_group_name_H-M   'F m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.78
_cell_length_b                   6.78
_cell_length_c                   6.78
_cell_volume                     311.666
_citation_journal_id_ASTM        JMMMDC
_cod_data_source_file            Kagayama_JMMMDC_1990_274.cif
_cod_data_source_block           Ce1Cu2In1
_cod_original_cell_volume        311.6658
_cod_original_formula_sum        'Ce1 Cu2 In1'
_cod_database_code               1527612
X-ray diffraction study of the new heavy fermion substance Ce In Cu2 at high pressure
Kagayama, T.; Suenaga, K.; Oomi, G.; Komatsubara, T.; Onuki, Y.; Journal of Magnetism and Magnetic Materials 90 (1990) 451–452; doi:

data_1527613
_publ_section_title
;
 X-ray diffraction study of the new heavy fermion substance Ce In Cu2 at
 high pressure
;
_journal_name_full               'Journal of Magnetism and Magnetic Materials'
_journal_page_first              451
_journal_page_last               452
_journal_volume                  90
_journal_year                    1990
_chemical_formula_sum            'Cu2 In La'
_space_group_IT_number           225
_symmetry_space_group_name_Hall  '-F 4 2 3'
_symmetry_space_group_name_H-M   'F m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.83
_cell_length_b                   6.83
_cell_length_c                   6.83
_cell_volume                     318.612
_citation_journal_id_ASTM        JMMMDC
_cod_data_source_file            Kagayama_JMMMDC_1990_295.cif
_cod_data_source_block           Cu2In1La1
_cod_original_formula_sum        'Cu2 In1 La1'
_cod_database_code               1527613
High-resolution neutron powder diffraction study on nitrogenated Nd2 Fe17
Kajitani, T.; Moric, Y.; Kobayashi, K.; Funahashi, S.; Iriyama, T.; Kato, H.; Nakagawa, Y.; Hiraya, K.; Journal of Applied Physics 73 (1993) 6032–6034; doi:

data_1527614
_publ_section_title
;
 High-resolution neutron powder diffraction study on nitrogenated Nd2 Fe17
;
_journal_name_full               'Journal of Applied Physics'
_journal_page_first              6032
_journal_page_last               6034
_journal_volume                  73
_journal_year                    1993
_chemical_formula_sum            'Fe17 Nd2'
_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                   8.5782
_cell_length_b                   8.5782
_cell_length_c                   12.4611
_cell_volume                     794.108
_citation_journal_id_ASTM        JAPIAU
_cod_data_source_file            Kajitani_JAPIAU_1993_476.cif
_cod_data_source_block           Fe17Nd2
_cod_original_cell_volume        794.1076
_cod_database_code               1527614
Crystal structure of Rb I O3 (Li I O3)2
Kalinin, V.P.; Karataeva, I.M.; Vinogradov, E.E.; Vavilin, V.I.; Plyukhin, V.V.; Pakhomov, V.I.; Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR)) 4 (1978) 444–447; doi:

data_1527615
_publ_section_title
;
 Crystal structure of Rb I O3 (Li I O3)2
;
_journal_name_full
;
Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR))
;
_journal_page_first              444
_journal_page_last               447
_journal_volume                  4
_journal_year                    1978
_chemical_formula_sum            'I3 Li2 O9 Rb'
_chemical_name_systematic        'Rb Li2 (I O3)3'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2bc'
_symmetry_space_group_name_H-M   'P 1 1 21/b'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                112
_cell_formula_units_Z            4
_cell_length_a                   8.46
_cell_length_b                   11.22
_cell_length_c                   11.09
_cell_volume                     976.024
_citation_journal_id_ASTM        KOKHDC
_cod_data_source_file            Kalinin_KOKHDC_1978_862.cif
_cod_data_source_block           I3Li2O9Rb1
_cod_original_cell_volume        976.0244
_cod_original_sg_symbol_Hall     '-P 2ybc (-x,z,y)'
_cod_original_formula_sum        'I3 Li2 O9 Rb1'
_cod_database_code               1527615