LMucko/crystallography-open-database huggingface dataset:
Least-squares refinement of the structure of a plutonic nepheline
Dollase, W.A.; Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) 132 (1970) 27–44; doi:

data_8104235
_publ_section_title
;
 Least-squares refinement of the structure of a plutonic nepheline
;
_journal_name_full
;
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, 
Kristallchemie (-144,1977)
;
_journal_page_first              27
_journal_page_last               44
_journal_volume                  132
_journal_year                    1970
_chemical_formula_sum            'Al7.2 K1.2 Na6 O32 Si8.8'
_chemical_name_systematic        'Na6 K1.2 (Al7.2 Si8.8 O32)'
_space_group_IT_number           176
_symmetry_space_group_name_Hall  '-P 6c'
_symmetry_space_group_name_H-M   'P 63/m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   10.007
_cell_length_b                   10.007
_cell_length_c                   8.385
_cell_volume                     727.179
_citation_journal_id_ASTM        ZEKGAX
_cod_data_source_file            Dollase_ZEKGAX_1970_1414.cif
_cod_data_source_block           Al7.2K1.2Na6O32Si8.8
_cod_original_cell_volume        727.1793
_cod_database_code               8104235
Structure of silyl iodide at 116K
Blake, A.J.; Henderson, S.G.D.; Ebsworth, E.A.V.; Welch, A.J.; Acta Crystallographica C (39,1983-) 44 (1988) 1337–1339; doi:

data_2020176
_publ_section_title
;
 Structure of silyl iodide at 116K
;
_journal_name_full               'Acta Crystallographica C (39,1983-)'
_journal_page_first              1337
_journal_page_last               1339
_journal_volume                  44
_journal_year                    1988
_chemical_formula_sum            'H3 I Si'
_chemical_name_systematic        'Si H3 I'
_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                 103.13
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   4.564
_cell_length_b                   8.3878
_cell_length_c                   10.5086
_cell_volume                     391.772
_citation_journal_id_ASTM        ACSCEE
_cod_data_source_file            Blake_ACSCEE_1988_1653.cif
_cod_data_source_block           H3I1Si1
_cod_original_cell_volume        391.7724
_cod_original_formula_sum        'H3 I1 Si1'
_cod_database_code               2020176
Ueber Chalkogenohalogenide des dreiwertigen Antimons und Wismuts. II. Ueber Selenohalogenide des dreiwertigen Antimons und Wismuts und ueber Antimon(III)-selenid Mit 2 Abbildungen
Donges, E.; Zeitschrift fuer Anorganische und Allgemeine Chemie 263 (1953) 280–280; doi:

data_1537807
_publ_section_title
;
 Ueber Chalkogenohalogenide des dreiwertigen Antimons und Wismuts. II.
 Ueber Selenohalogenide des dreiwertigen Antimons und Wismuts und ueber
 Antimon(III)-selenid Mit 2 Abbildungen
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              280
_journal_page_last               280
_journal_volume                  263
_journal_year                    1953
_chemical_formula_sum            'Sb2 Se3'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.68
_cell_length_b                   3.98
_cell_length_c                   11.58
_cell_volume                     538.313
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Donges_ZAACAB_1953_1839.cif
_cod_data_source_block           Sb2Se3
_cod_original_cell_volume        538.3125
_cod_database_code               1537807
High temperature equilibria in the Zr1-x Hfx M2, Zr1-x Tix M2 and Hf1-x Tix M2 (M = Mo or W) systems
Blazina, Z.; Trojko, R.; Ban, Z.; Journal of the Less-Common Metals 83 (1982) 175–183; doi:

data_1537808
_publ_section_title
;
 High temperature equilibria in the Zr1-x Hfx M2, Zr1-x Tix M2 and Hf1-x
 Tix M2 (M = Mo or W) systems
;
_journal_name_full               'Journal of the Less-Common Metals'
_journal_page_first              175
_journal_page_last               183
_journal_volume                  83
_journal_year                    1982
_chemical_formula_sum            'Hf0.66 Mo1.32'
_chemical_name_systematic        '(Hf Mo2)0.66'
_space_group_IT_number           229
_symmetry_space_group_name_Hall  '-I 4 2 3'
_symmetry_space_group_name_H-M   'I m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   3.226
_cell_length_b                   3.226
_cell_length_c                   3.226
_cell_volume                     33.573
_citation_journal_id_ASTM        JCOMAH
_cod_data_source_file            Blazina_JCOMAH_1982_102.cif
_cod_data_source_block           Hf0.66Mo1.32
_cod_original_cell_volume        33.57323
_cod_database_code               1537808
On the role of Al-Si ordering in the cubic-tetragonal phase transition of leucite
Dove, M.T.; Cool, T.; Putnis, A.; Palmer, D.C.; Salje, E.K.H.; Winkler, B.; American Mineralogist 78 (1993) 486–492; doi:

data_1537809
_publ_section_title
;
 On the role of Al-Si ordering in the cubic-tetragonal phase transition of
 leucite
;
_journal_name_full               'American Mineralogist'
_journal_page_first              486
_journal_page_last               492
_journal_volume                  78
_journal_year                    1993
_chemical_formula_sum            'Al K O6 Si2'
_chemical_name_systematic        'K Al (Si2 O6)'
_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            16
_cell_length_a                   13.536
_cell_length_b                   13.536
_cell_length_c                   13.536
_cell_volume                     2480.111
_citation_journal_id_ASTM        AMMIAY
_cod_data_source_file            Dove_AMMIAY_1993_1271.cif
_cod_data_source_block           Al1K1O6Si2
_cod_original_formula_sum        'Al1 K1 O6 Si2'
_cod_database_code               1537809
High temperature equilibria in the Zr1-x Hfx M2, Zr1-x Tix M2 and Hf1-x Tix M2 (M = Mo or W) systems
Blazina, Z.; Trojko, R.; Ban, Z.; Journal of the Less-Common Metals 83 (1982) 175–183; doi:

data_1537810
_publ_section_title
;
 High temperature equilibria in the Zr1-x Hfx M2, Zr1-x Tix M2 and Hf1-x
 Tix M2 (M = Mo or W) systems
;
_journal_name_full               'Journal of the Less-Common Metals'
_journal_page_first              175
_journal_page_last               183
_journal_volume                  83
_journal_year                    1982
_chemical_formula_sum            'Mo1.334 Ti0.666'
_chemical_name_systematic        '(Mo2 Ti)0.66'
_space_group_IT_number           229
_symmetry_space_group_name_Hall  '-I 4 2 3'
_symmetry_space_group_name_H-M   'I m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   3.154
_cell_length_b                   3.154
_cell_length_c                   3.154
_cell_volume                     31.375
_citation_journal_id_ASTM        JCOMAH
_cod_data_source_file            Blazina_JCOMAH_1982_738.cif
_cod_data_source_block           Mo1.334Ti0.666
_cod_original_cell_volume        31.3751
_cod_database_code               1537810
Study of substitution in the systems U Ni5-x Mx and Zr Ni5-x Mx(M = In, Sn, Zn)
Blazina, Z.; Drasner, A.; Ban, Z.; Journal of Nuclear Materials 96 (1981) 141–146; doi:

data_1537811
_publ_section_title
;
 Study of substitution in the systems U Ni5-x Mx and Zr Ni5-x Mx(M = In,
 Sn, Zn)
;
_journal_name_full               'Journal of Nuclear Materials'
_journal_page_first              141
_journal_page_last               146
_journal_volume                  96
_journal_year                    1981
_chemical_formula_sum            'Ni5 U'
_space_group_IT_number           216
_symmetry_space_group_name_Hall  'F -4 2 3'
_symmetry_space_group_name_H-M   'F -4 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        JNUMAM
_cod_data_source_file            Blazina_JNUMAM_1981_1118.cif
_cod_data_source_block           Ni5U1
_cod_original_cell_volume        311.6658
_cod_original_formula_sum        'Ni5 U1'
_cod_database_code               1537811
On the preparation and X-ray powder data of rare earth sulfides and oxysulfides
Drafall, L.E.; McCarthy, G.J.; Sipe, C.A.; White, W.B.; Proc. Rare Earth Res. Conf., 11th 2 (1974) 954–959; doi:

data_1537812
_publ_section_title
;
 On the preparation and X-ray powder data of rare earth sulfides and
 oxysulfides
;
_journal_name_full               'Proc. Rare Earth Res. Conf., 11th'
_journal_page_first              954
_journal_page_last               959
_journal_volume                  2
_journal_year                    1974
_chemical_formula_sum            'Lu S'
_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                   5.32
_cell_length_b                   5.32
_cell_length_c                   5.32
_cell_volume                     150.569
_citation_journal_id_ASTM        30NNAD
_cod_data_source_file            Drafall_30NNAD_1974_538.cif
_cod_data_source_block           Lu1S1
_cod_original_cell_volume        150.5688
_cod_original_formula_sum        'Lu1 S1'
_cod_database_code               1537812
Study of substitution in the systems U Ni5-x Mx and Zr Ni5-x Mx(M = In, Sn, Zn)
Blazina, Z.; Ban, Z.; Drasner, A.; Journal of Nuclear Materials 96 (1981) 141–146; doi:

data_1537813
_publ_section_title
;
 Study of substitution in the systems U Ni5-x Mx and Zr Ni5-x Mx(M = In,
 Sn, Zn)
;
_journal_name_full               'Journal of Nuclear Materials'
_journal_page_first              141
_journal_page_last               146
_journal_volume                  96
_journal_year                    1981
_chemical_formula_sum            'Ni5 Zr'
_space_group_IT_number           216
_symmetry_space_group_name_Hall  'F -4 2 3'
_symmetry_space_group_name_H-M   'F -4 3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.708
_cell_length_b                   6.708
_cell_length_c                   6.708
_cell_volume                     301.842
_citation_journal_id_ASTM        JNUMAM
_cod_data_source_file            Blazina_JNUMAM_1981_1144.cif
_cod_data_source_block           Ni5Zr1
_cod_original_cell_volume        301.8417
_cod_original_formula_sum        'Ni5 Zr1'
_cod_database_code               1537813
Structure de Na H2 As3 O9: Un nouvel anion arseniate condense
Driss, A.; Jouini, T.; Acta Crystallographica C (39,1983-) 44 (1988) 1507–1510; doi:

data_2020177
_publ_section_title
;
 Structure de Na H2 As3 O9: Un nouvel anion arseniate condense
;
_journal_name_full               'Acta Crystallographica C (39,1983-)'
_journal_page_first              1507
_journal_page_last               1510
_journal_volume                  44
_journal_year                    1988
_chemical_formula_sum            'As3 H2 Na O9'
_chemical_name_systematic        'Na H2 (As3 O9)'
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                109.89
_cell_angle_beta                 107.27
_cell_angle_gamma                106.15
_cell_formula_units_Z            2
_cell_length_a                   7.167
_cell_length_b                   7.575
_cell_length_c                   7.85
_cell_volume                     346.899
_citation_journal_id_ASTM        ACSCEE
_cod_data_source_file            Driss_ACSCEE_1988_1594.cif
_cod_data_source_block           H2As3Na1O9
_cod_original_cell_volume        346.8989
_cod_original_formula_sum        'H2 As3 Na1 O9'
_cod_database_code               2020177
The crystal structure of U5 Re3 C8
Block, G.; Jeitschko, W.; Monatshefte fuer Chemie und verwandte Teile anderer Wissenschaften (109,1978-) 119 (1988) 319–326; doi:

data_1537814
_publ_section_title
;
 The crystal structure of U5 Re3 C8
;
_journal_name_full
;
Monatshefte fuer Chemie und verwandte Teile anderer Wissenschaften (109,1978-)
;
_journal_page_first              319
_journal_page_last               326
_journal_volume                  119
_journal_year                    1988
_chemical_formula_sum            'C8 Re3 U5'
_chemical_name_systematic        'U5 Re3 C8'
_space_group_IT_number           127
_symmetry_space_group_name_Hall  '-P 4 2ab'
_symmetry_space_group_name_H-M   'P 4/m b m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   11.313
_cell_length_b                   11.313
_cell_length_c                   3.3029
_cell_volume                     422.718
_citation_journal_id_ASTM        MOCMB7
_cod_data_source_file            Block_MOCMB7_1988_1930.cif
_cod_data_source_block           C8Re3U5
_cod_original_cell_volume        422.7182
_cod_database_code               1537814
Structure of the orthorhombic phase of Li1+x Ti2-x Inx P3 O12, x=1.08
Duc Tran Qui; Hamdoune, S.; Acta Crystallographica C (39,1983-) 44 (1988) 1360–1362; doi:

data_2020178
_publ_section_title
;
 Structure of the orthorhombic phase of Li1+x Ti2-x Inx P3 O12, x=1.08
;
_journal_name_full               'Acta Crystallographica C (39,1983-)'
_journal_page_first              1360
_journal_page_last               1362
_journal_volume                  44
_journal_year                    1988
_chemical_formula_sum            'In1.08 Li2.08 O12 P3 Ti0.92'
_chemical_name_systematic        'Li2.08 Ti.92 In1.08 (P O4)3'
_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                   8.647
_cell_length_b                   8.807
_cell_length_c                   24.328
_cell_volume                     1852.678
_citation_journal_id_ASTM        ACSCEE
_cod_data_source_file            DucTranQui_ACSCEE_1988_1668.cif
_cod_data_source_block           In1.08Li2.08O12P3Ti0.92
_cod_database_code               2020178
Ferromagnetism in the system (Zr1-x Hfx)Zn2
Blythe, H.J.; Physics Letters A 27 (1968) 42–43; doi:

data_1537815
_publ_section_title
;
 Ferromagnetism in the system (Zr1-x Hfx)Zn2
;
_journal_name_full               'Physics Letters A'
_journal_page_first              42
_journal_page_last               43
_journal_volume                  27
_journal_year                    1968
_chemical_formula_sum            'Hf1.2 Zn16 Zr6.8'
_chemical_name_systematic        '(Hf3 Zn40 Zr17)0.4'
_space_group_IT_number           227
_symmetry_space_group_name_Hall  'F 4d 2 3 -1d'
_symmetry_space_group_name_H-M   'F d -3 m :1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   7.382
_cell_length_b                   7.382
_cell_length_c                   7.382
_cell_volume                     402.274
_citation_journal_id_ASTM        PYLAAG
_cod_data_source_file            Blythe_PYLAAG_1968_132.cif
_cod_data_source_block           Hf1.2Zn16Zr6.8
_cod_original_cell_volume        402.2741
_cod_original_sg_symbol_Hall     '-F 4vw 2vw 3 (x+1/8,y+1/8,z+1/8)'
_cod_database_code               1537815
Thermal expansion of the chalcogenides of rare earth metals
Dudnik, E.M.; Lashkarev, G.V.; Paderno, Y.B.; Obolonchik, V.A.; Inorganic Materials (USSR) (see: Izv.Akad.Nauk, Neorg.Mater.) 2 (1966) 833–836; doi:

data_1537816
_publ_section_title
;
 Thermal expansion of the chalcogenides of rare earth metals
;
_journal_name_full
;
Inorganic Materials (USSR) (see: Izv.Akad.Nauk, Neorg.Mater.)
;
_journal_page_first              833
_journal_page_last               836
_journal_volume                  2
_journal_year                    1966
_chemical_formula_sum            'Se4 Sm2.667'
_chemical_name_systematic        'Sm2.667 Se4'
_space_group_IT_number           220
_symmetry_space_group_name_Hall  'I -4bd 2c 3'
_symmetry_space_group_name_H-M   'I -4 3 d'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.77
_cell_length_b                   8.77
_cell_length_c                   8.77
_cell_volume                     674.526
_citation_journal_id_ASTM        INOMAF
_cod_data_source_file            Dudnik_INOMAF_1966_1904.cif
_cod_data_source_block           Se4Sm2.667
_cod_original_cell_volume        674.5262
_cod_database_code               1537816
Crystal structure of the compound Ce Ni2 S2 and isostructural compounds in related systems
Bodak, O.I.; Gladyshevskii, E.I.; Kripyakevich, P.I.; Inorganic Materials (USSR) (see: Izv.Akad.Nauk, Neorg.Mater.) 2 (1966) 1861–1864; doi:

data_1537817
_publ_section_title
;
 Crystal structure of the compound Ce Ni2 S2 and isostructural compounds
 in related systems
;
_journal_name_full
;
Inorganic Materials (USSR) (see: Izv.Akad.Nauk, Neorg.Mater.)
;
_journal_page_first              1861
_journal_page_last               1864
_journal_volume                  2
_journal_year                    1966
_chemical_formula_sum            'Ni2 Si2 Sm'
_chemical_name_systematic        'Ni2 Sm Si2'
_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                   3.997
_cell_length_b                   3.997
_cell_length_c                   9.577
_cell_volume                     153.002
_citation_journal_id_ASTM        INOMAF
_cod_data_source_file            Bodak_INOMAF_1966_1047.cif
_cod_data_source_block           Ni2Si2Sm1
_cod_original_cell_volume        153.0022
_cod_original_formula_sum        'Ni2 Si2 Sm1'
_cod_database_code               1537817
Thermal expansion of the chalcogenides of rare earth metals
Dudnik, E.M.; Lashkarev, G.V.; Paderno, Y.B.; Obolonchik, V.A.; Inorganic Materials (USSR) (see: Izv.Akad.Nauk, Neorg.Mater.) 2 (1966) 833–836; doi:

data_1537818
_publ_section_title
;
 Thermal expansion of the chalcogenides of rare earth metals
;
_journal_name_full
;
Inorganic Materials (USSR) (see: Izv.Akad.Nauk, Neorg.Mater.)
;
_journal_page_first              833
_journal_page_last               836
_journal_volume                  2
_journal_year                    1966
_chemical_formula_sum            'Nd2.667 Se4'
_space_group_IT_number           220
_symmetry_space_group_name_Hall  'I -4bd 2c 3'
_symmetry_space_group_name_H-M   'I -4 3 d'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.85
_cell_length_b                   8.85
_cell_length_c                   8.85
_cell_volume                     693.154
_citation_journal_id_ASTM        INOMAF
_cod_data_source_file            Dudnik_INOMAF_1966_928.cif
_cod_data_source_block           Nd2.667Se4
_cod_original_cell_volume        693.1542
_cod_database_code               1537818
Crystal structure of the compound Ce Ni2 S2 and isostructural compounds in related systems
Bodak, O.I.; Gladyshevskii, E.I.; Kripyakevich, P.I.; Inorganic Materials (USSR) (see: Izv.Akad.Nauk, Neorg.Mater.) 2 (1966) 1861–1864; doi:

data_1537819
_publ_section_title
;
 Crystal structure of the compound Ce Ni2 S2 and isostructural compounds
 in related systems
;
_journal_name_full
;
Inorganic Materials (USSR) (see: Izv.Akad.Nauk, Neorg.Mater.)
;
_journal_page_first              1861
_journal_page_last               1864
_journal_volume                  2
_journal_year                    1966
_chemical_formula_sum            'Ni2 Si2 Tb'
_chemical_name_systematic        'Ni2 Tb Si2'
_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                   3.952
_cell_length_b                   3.952
_cell_length_c                   9.542
_cell_volume                     149.030
_citation_journal_id_ASTM        INOMAF
_cod_data_source_file            Bodak_INOMAF_1966_1050.cif
_cod_data_source_block           Ni2Si2Tb1
_cod_original_cell_volume        149.0298
_cod_original_formula_sum        'Ni2 Si2 Tb1'
_cod_database_code               1537819
The structure of (Ti, Re) Si2
Duffin, W.J.; Parthe, E.; Norton, J.T.; Acta Crystallographica (1,1948-23,1967) 17 (1964) 450–451; doi:

data_2310890
_publ_section_title
;
 The structure of (Ti, Re) Si2
;
_journal_name_full               'Acta Crystallographica (1,1948-23,1967)'
_journal_page_first              450
_journal_page_last               451
_journal_volume                  17
_journal_year                    1964
_chemical_formula_sum            'Re0.3 Si6 Ti2.7'
_chemical_name_systematic        '(Re Ti9 Si20)0.3'
_space_group_IT_number           180
_symmetry_space_group_name_Hall  'P 62 2 (0 0 4)'
_symmetry_space_group_name_H-M   'P 62 2 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   4.705
_cell_length_b                   4.705
_cell_length_c                   6.505
_cell_volume                     124.709
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_cod_data_source_block           Re0.3Si6Ti2.7
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_cod_original_sg_symbol_Hall     'P 62 2 (x,y,z+1/3)'
_cod_database_code               2310890