LMucko/crystallography-open-database huggingface dataset:
The crystal structure of cobalt-substituted calcium chlorapatite
Anderson, J.B.; Kostiner, E.; Journal of Solid State Chemistry 66 (1987) 343–349; doi:

data_1529559
_publ_section_title
;
 The crystal structure of cobalt-substituted calcium chlorapatite
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              343
_journal_page_last               349
_journal_volume                  66
_journal_year                    1987
_chemical_formula_sum            'Ca4.01 Cl0.89 Co0.99 O12 P3'
_chemical_name_systematic        'Co0.99 Ca4.01 Cl0.89 (P O4)3'
_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            2
_cell_length_a                   9.625
_cell_length_b                   9.625
_cell_length_c                   6.747
_cell_volume                     541.306
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Anderson_JSSCBI_1987_1382.cif
_cod_data_source_block           Ca4.01Cl0.89Co0.99O12P3
_cod_database_code               1529559
Formation and crystal structure of Th Ni2 D2
Andresen, A.F.; Fjellvag, H.; Maeland, A.J.; Journal of the Less-Common Metals 103 (1984) 27–31; doi:

data_1529560
_publ_section_title
;
 Formation and crystal structure of Th Ni2 D2
;
_journal_name_full               'Journal of the Less-Common Metals'
_journal_page_first              27
_journal_page_last               31
_journal_volume                  103
_journal_year                    1984
_chemical_formula_sum            'D2 Ni2 Th'
_chemical_name_systematic        'Th Ni2 D2'
_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                   3.87
_cell_length_b                   3.87
_cell_length_c                   3.951
_cell_volume                     51.246
_citation_journal_id_ASTM        JCOMAH
_cod_data_source_file            Andresen_JCOMAH_1984_1043.cif
_cod_data_source_block           D2Ni2Th1
_cod_original_cell_volume        51.24595
_cod_original_formula_sum        'D2 Ni2 Th1'
_cod_database_code               1529560
Formation and crystal structure of Th Ni2 D2
Andresen, A.F.; Fjellvag, H.; Maeland, A.J.; Journal of the Less-Common Metals 103 (1984) 27–31; doi:

data_1529561
_publ_section_title
;
 Formation and crystal structure of Th Ni2 D2
;
_journal_name_full               'Journal of the Less-Common Metals'
_journal_page_first              27
_journal_page_last               31
_journal_volume                  103
_journal_year                    1984
_chemical_formula_sum            'D2.6 Ni2 Th'
_chemical_name_systematic        'Th Ni2 D2.6'
_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                   4.903985
_cell_length_b                   4.903985
_cell_length_c                   4.36
_cell_volume                     90.806
_citation_journal_id_ASTM        JCOMAH
_cod_data_source_file            Andresen_JCOMAH_1984_1044.cif
_cod_data_source_block           D2.6Ni2Th1
_cod_original_cell_volume        90.80618
_cod_original_formula_sum        'D2.6 Ni2 Th1'
_cod_database_code               1529561
Crystal structures of a cesium iron(III) phosphate, Cs3 Fe4 (P O4)5, and a cesium iron(III) oxyphosphate, Cs7 Fe7 (P O4)8 O2
Andrews-Allen, E.M.; Robinson, W.R.; Journal of Solid State Chemistry 74 (1988) 88–97; doi:

data_1529562
_publ_section_title
;
 Crystal structures of a cesium iron(III) phosphate, Cs3 Fe4 (P O4)5, and
 a cesium iron(III) oxyphosphate, Cs7 Fe7 (P O4)8 O2
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              88
_journal_page_last               97
_journal_volume                  74
_journal_year                    1988
_chemical_formula_sum            'Cs3 Fe4 O20 P5'
_chemical_name_systematic        'Cs3 Fe4 (P O4)5'
_space_group_IT_number           56
_symmetry_space_group_name_Hall  '-P 2ab 2ac'
_symmetry_space_group_name_H-M   'P c c n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.838
_cell_length_b                   13.913
_cell_length_c                   14.076
_cell_volume                     1926.668
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Andrews-Allen_JSSCBI_1988_1623.cif
_cod_data_source_block           Cs3Fe4O20P5
_cod_database_code               1529562
Crystal Structures of a Cesium Iron(III) Phosphate, Cs3 Fe4 (P O4)5, and a Cesium Iron(III) Oxyphosphate, Cs7 Fe7 (P O4)8 O2
Andrews-Allen, E.M.; Robinson, W.R.; Journal of Solid State Chemistry 74 (1988) 88–97; doi:

data_1529563
_publ_section_title
;
 Crystal Structures of a Cesium Iron(III) Phosphate, Cs3 Fe4 (P O4)5, and
 a Cesium Iron(III) Oxyphosphate, Cs7 Fe7 (P O4)8 O2
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              88
_journal_page_last               97
_journal_volume                  74
_journal_year                    1988
_chemical_formula_sum            'Cs7 Fe7 O34 P8'
_chemical_name_systematic        'Cs7 Fe7 (P O4)8 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                 108.63
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   8.339
_cell_length_b                   22.54
_cell_length_c                   10.067
_cell_volume                     1793.055
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Andrews-Allen_JSSCBI_1988_1624.cif
_cod_data_source_block           Cs7Fe7O34P8
_cod_database_code               1529563
The molecular and crystal structure of chlorine trifluoride Cl F3 at -100 C
Antipin, M.Yu.; Sukhoverkhov, V.F.; Ellern, A.M.; Struchkov, Yu.T.; Zhurnal Neorganicheskoi Khimii 34 (1989) 819–822; doi:

data_1529564
_publ_section_title
;
 The molecular and crystal structure of chlorine trifluoride Cl F3 at -100
 C
;
_journal_name_full               'Zhurnal Neorganicheskoi Khimii'
_journal_page_first              819
_journal_page_last               822
_journal_volume                  34
_journal_year                    1989
_chemical_formula_sum            'Cl F3'
_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                 96.05
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   8.051
_cell_length_b                   4.401
_cell_length_c                   14.612
_cell_volume                     514.855
_citation_journal_id_ASTM        ZNOKAQ
_cod_data_source_file            Antipin_ZNOKAQ_1989_1895.cif
_cod_data_source_block           Cl1F3
_cod_original_cell_volume        514.8553
_cod_original_formula_sum        'Cl1 F3'
_cod_database_code               1529564
Crystal structure of cadmium ultraphosphate Cd2 P6 O17. Structural patterns of phosphorus-oxygen anions in ultraphosphates
Antsyshkina, A.S.; Porai-Koshits, M.A.; Minacheva, L.Kh.; Ivanova, V.C.; Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR)) 5 (1979) 268–275; doi:

data_1529565
_publ_section_title
;
 Crystal structure of cadmium ultraphosphate Cd2 P6 O17. Structural
 patterns of phosphorus-oxygen anions in ultraphosphates
;
_journal_name_full
;
Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR))
;
_journal_page_first              268
_journal_page_last               275
_journal_volume                  5
_journal_year                    1979
_chemical_formula_sum            'Cd2 O17 P6'
_chemical_name_systematic        'Cd2 P6 O17'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2n'
_symmetry_space_group_name_H-M   'P 1 1 21/n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                111.1
_cell_formula_units_Z            2
_cell_length_a                   7.566
_cell_length_b                   5.486
_cell_length_c                   18.082
_cell_volume                     700.211
_citation_journal_id_ASTM        KOKHDC
_cod_data_source_file            Antsyshkina_KOKHDC_1979_536.cif
_cod_data_source_block           Cd2O17P6
_cod_original_cell_volume        700.2106
_cod_original_sg_symbol_Hall     '-P 2ybc (z,x-z,y)'
_cod_database_code               1529565
Sur quelques sulfites de cations monovalents; etude structurale de Li Cs O3 (H2 O)2
Archer, C.; Durand, J.; Cot, L.; Galigne, J.L.; Canadian Journal of Chemistry 57 (1979) 899–903; doi:

data_1529566
_publ_section_title
;
 Sur quelques sulfites de cations monovalents; etude structurale de Li Cs
 O3 (H2 O)2
;
_journal_name_full               'Canadian Journal of Chemistry'
_journal_page_first              899
_journal_page_last               903
_journal_volume                  57
_journal_year                    1979
_chemical_formula_sum            'Cs H4 Li O5 S'
_chemical_name_systematic        'Li Cs S O3 (H2 O)2'
_space_group_IT_number           8
_symmetry_space_group_name_Hall  'C -2y'
_symmetry_space_group_name_H-M   'C 1 m 1'
_cell_angle_alpha                90
_cell_angle_beta                 109.26
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   11.927
_cell_length_b                   5.67
_cell_length_c                   4.828
_cell_volume                     308.225
_citation_journal_id_ASTM        CJCHAG
_cod_data_source_file            Archer_CJCHAG_1979_558.cif
_cod_data_source_block           H4Cs1Li1O5S1
_cod_original_cell_volume        308.2251
_cod_original_formula_sum        'H4 Cs1 Li1 O5 S1'
_cod_database_code               1529566
Role of Na in the structure of low-cordierite: A single crystal X-ray study
Armbruster, T.; American Mineralogist 71 (1986) 746–757; doi:

data_1529567
_publ_section_title
;
 Role of Na in the structure of low-cordierite: A single crystal X-ray
 study
;
_journal_name_full               'American Mineralogist'
_journal_page_first              746
_journal_page_last               757
_journal_volume                  71
_journal_year                    1986
_chemical_formula_sum
'Al4 Fe0.58 H1.7 Li0.36 Mg1.06 Na0.36 O18.85 Si5'
_chemical_name_systematic
'Na.36 (Mg1.06 Fe.58 Li.36) Al4 Si5 O18 (H2 O).85'
_space_group_IT_number           66
_symmetry_space_group_name_Hall  '-C 2 2c'
_symmetry_space_group_name_H-M   'C c c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   17.056
_cell_length_b                   9.783
_cell_length_c                   9.335
_cell_volume                     1557.627
_citation_journal_id_ASTM        AMMIAY
_cod_data_source_file            Armbruster_AMMIAY_1986_1243.cif
_cod_data_source_block           H1.7Al4Fe0.58Li0.36Mg1.06Na0.36O18.85Si5
_cod_original_formula_sum
'H1.7 Al4 Fe0.58 Li0.36 Mg1.06 Na0.36 O18.85 Si5'
_cod_database_code               1529567
Defect structure of the spinel Ni2.44 Ti.77 O4
Armbruster, T.; Lager, G.A.; Journal of Physics and Chemistry of Solids 42 (1981) 725–728; doi:

data_1529568
_publ_section_title
;
 Defect structure of the spinel Ni2.44 Ti.77 O4
;
_journal_name_full               'Journal of Physics and Chemistry of Solids'
_journal_page_first              725
_journal_page_last               728
_journal_volume                  42
_journal_year                    1981
_chemical_formula_sum            'Ni2.44 O4 Ti0.77'
_chemical_name_systematic        'Ni2.44 Ti.77 O4'
_space_group_IT_number           227
_symmetry_space_group_name_Hall  '-F 4vw 2vw 3'
_symmetry_space_group_name_H-M   'F d -3 m :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   8.339
_cell_length_b                   8.339
_cell_length_c                   8.339
_cell_volume                     579.885
_citation_journal_id_ASTM        JPCSAW
_cod_data_source_file            Armbruster_JPCSAW_1981_777.cif
_cod_data_source_block           Ni2.44O4Ti0.77
_cod_database_code               1529568
Crystal structure of ((Cl3 P O)6 Nd (mue-O2 P Cl2)2 - Sn Cl4) Sn Cl5 (P O Cl3)2 isolated from a Nd Cl3 O P Cl3-Sn Cl4 laser liquid
Aslanov, L.A.; Ionov, V.M.; Rybakov, V.B.; Lebedev, V.G.; Kulikovskii, B.N.; Gilyarov, O.N.; Novoderezhkina, T.L.; Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR)) 4 (1978) 113–118; doi:

data_1529569
_publ_section_title
;
 Crystal structure of ((Cl3 P O)6 Nd (mue-O2 P Cl2)2 - Sn Cl4) Sn Cl5 (P O
 Cl3)2 isolated from a Nd Cl3 O P Cl3-Sn Cl4 laser liquid
;
_journal_name_full
;
Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR))
;
_journal_page_first              113
_journal_page_last               118
_journal_volume                  4
_journal_year                    1978
_chemical_formula_sum            'Cl37 Nd O12 P10 Sn2'
_chemical_name_systematic
;
((Cl3 P O)6 Nd (O2 P Cl2)2 Sn Cl4) Sn Cl5 (P O Cl3)2
;
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                92.08
_cell_angle_beta                 96.28
_cell_angle_gamma                91.24
_cell_formula_units_Z            2
_cell_length_a                   21.58
_cell_length_b                   12.28
_cell_length_c                   12.25
_cell_volume                     3223.601
_citation_journal_id_ASTM        KOKHDC
_cod_data_source_file            Aslanov_KOKHDC_1978_397.cif
_cod_data_source_block           Cl37Nd1O12P10Sn2
_cod_original_formula_sum        'Cl37 Nd1 O12 P10 Sn2'
_cod_database_code               1529569
The structures of the solid solutions formed in the system (Crx Fe1-x) V O4
Attfield, J.P.; Journal of Solid State Chemistry 67 (1987) 58–63; doi:

data_1529570
_publ_section_title
;
 The structures of the solid solutions formed in the system (Crx Fe1-x) V
 O4
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              58
_journal_page_last               63
_journal_volume                  67
_journal_year                    1987
_chemical_formula_sum            'Cr0.2 Fe0.8 O4 V'
_chemical_name_systematic        'Cr.2 Fe.8 V O4'
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 107.58
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   9.902
_cell_length_b                   8.969
_cell_length_c                   6.848
_cell_volume                     579.774
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Attfield_JSSCBI_1987_1394.cif
_cod_data_source_block           Cr0.2Fe0.8O4V1
_cod_original_cell_volume        579.7737
_cod_original_formula_sum        'Cr0.2 Fe0.8 O4 V1'
_cod_database_code               1529570
A case of mimetic twinning the crystal structure of Pb2 O F X (X = Cl, Br and I)
Aurivillius, B.; Chemica Scripta 11 (1977) 208–210; doi:

data_1529571
_publ_section_title
;
 A case of mimetic twinning the crystal structure of Pb2 O F X (X = Cl, Br
 and I)
;
_journal_name_full               'Chemica Scripta'
_journal_page_first              208
_journal_page_last               210
_journal_volume                  11
_journal_year                    1977
_chemical_formula_sum            'Cl F O Pb2'
_chemical_name_systematic        'Pb2 O F Cl'
_space_group_IT_number           67
_symmetry_space_group_name_Hall  '-A 2 2b'
_symmetry_space_group_name_H-M   'A c m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.7521
_cell_length_b                   5.7269
_cell_length_c                   12.541
_cell_volume                     413.122
_citation_journal_id_ASTM        CSRPB9
_cod_data_source_file            Aurivillius_CSRPB9_1977_240.cif
_cod_data_source_block           Cl1F1O1Pb2
_cod_original_cell_volume        413.1219
_cod_original_sg_symbol_Hall     '-C 2a 2 (z,y,-x)'
_cod_original_formula_sum        'Cl1 F1 O1 Pb2'
_cod_database_code               1529571
X-ray studies on mixed sodium lead bromide fluorides with the limiting composition 3Pb F2 * Pb Br2 and similar substances
Aurivillius, B.; Chemica Scripta 12 (1977) 18–22; doi:

data_1529572
_publ_section_title
;
 X-ray studies on mixed sodium lead bromide fluorides with the limiting
 composition 3Pb F2 * Pb Br2 and similar substances
;
_journal_name_full               'Chemica Scripta'
_journal_page_first              18
_journal_page_last               22
_journal_volume                  12
_journal_year                    1977
_chemical_formula_sum            'Br6 F18 Na2 Pb11'
_chemical_name_systematic        'Na2 Pb11 F18 Br6'
_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                   14.3421
_cell_length_b                   14.3421
_cell_length_c                   4.0528
_cell_volume                     721.957
_citation_journal_id_ASTM        CSRPB9
_cod_data_source_file            Aurivillius_CSRPB9_1977_275.cif
_cod_data_source_block           Br6F18Na2Pb11
_cod_database_code               1529572
Crystal structure of Nd Bi5 O8 Cl2. Single crystal investigations on Bi3 O4 Br and Bi12 O17 Cl2
Aurivillius, B.; Chemica Scripta 24 (1984) 125–129; doi:

data_1529573
_publ_section_title
;
 Crystal structure of Nd Bi5 O8 Cl2. Single crystal investigations on Bi3
 O4 Br and Bi12 O17 Cl2
;
_journal_name_full               'Chemica Scripta'
_journal_page_first              125
_journal_page_last               129
_journal_volume                  24
_journal_year                    1984
_chemical_formula_sum            'Bi2.5 Cl Nd0.5 O4'
_chemical_name_systematic        '(Nd Bi5).5 O4 Cl'
_space_group_IT_number           123
_symmetry_space_group_name_Hall  '-P 4 2'
_symmetry_space_group_name_H-M   'P 4/m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   3.9058
_cell_length_b                   3.9058
_cell_length_c                   8.779
_cell_volume                     133.926
_citation_journal_id_ASTM        CSRPB9
_cod_data_source_file            Aurivillius_CSRPB9_1984_1103.cif
_cod_data_source_block           Bi2.5Cl1Nd0.5O4
_cod_original_cell_volume        133.9261
_cod_original_formula_sum        'Bi2.5 Cl1 Nd0.5 O4'
_cod_database_code               1529573
Crystal structure of Nd Bi5 O8 Cl2. Single crystal investigations on Bi3 O4 Br and Bi12 O17 Cl2
Aurivillius, B.; Chemica Scripta 24 (1984) 125–129; doi:

data_1529574
_publ_section_title
;
 Crystal structure of Nd Bi5 O8 Cl2. Single crystal investigations on Bi3
 O4 Br and Bi12 O17 Cl2
;
_journal_name_full               'Chemica Scripta'
_journal_page_first              125
_journal_page_last               129
_journal_volume                  24
_journal_year                    1984
_chemical_formula_sum            'Bi3 Br O4'
_space_group_IT_number           52
_symmetry_space_group_name_Hall  '-P 2n 2bc'
_symmetry_space_group_name_H-M   'P n a n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.7051
_cell_length_b                   5.6935
_cell_length_c                   18.949
_cell_volume                     615.501
_citation_journal_id_ASTM        CSRPB9
_cod_data_source_file            Aurivillius_CSRPB9_1984_1104.cif
_cod_data_source_block           Bi3Br1O4
_cod_original_cell_volume        615.5012
_cod_original_sg_symbol_Hall     '-P 2a 2bc (-x,z,y)'
_cod_original_formula_sum        'Bi3 Br1 O4'
_cod_database_code               1529574
Cs3 Ge F7 - Ein Neues Fluorogermanat(IV)
Averdunk, F.; Hoppe, R.; Journal of the Less-Common Metals 146 (1989) 137–145; doi:

data_1529575
_publ_section_title
;
 Cs3 Ge F7 - Ein Neues Fluorogermanat(IV)
;
_journal_name_full               'Journal of the Less-Common Metals'
_journal_page_first              137
_journal_page_last               145
_journal_volume                  146
_journal_year                    1989
_chemical_formula_sum            'Cs3 F7 Ge'
_chemical_name_systematic        'Cs3 (Ge F7)'
_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                   8.402
_cell_length_b                   8.402
_cell_length_c                   6.253
_cell_volume                     441.422
_citation_journal_id_ASTM        JCOMAH
_cod_data_source_file            Averdunk_JCOMAH_1989_1796.cif
_cod_data_source_block           Cs3F7Ge1
_cod_original_cell_volume        441.4218
_cod_original_formula_sum        'Cs3 F7 Ge1'
_cod_database_code               1529575
About similarity of crystal structures of tetragonal beta-modification of Li I O3 and Ce (I O3)4
Azarova, L.A.; Pakhomov, V.I.; Mikhailova, E.M.; Vinogradov, E.E.; Doklady Akademii Nauk SSSR 206 (1972) 613–615; doi:

data_1529576
_publ_section_title
;
 About similarity of crystal structures of tetragonal beta-modification of
 Li I O3 and Ce (I O3)4
;
_journal_name_full               'Doklady Akademii Nauk SSSR'
_journal_page_first              613
_journal_page_last               615
_journal_volume                  206
_journal_year                    1972
_chemical_formula_sum            'I Li O3'
_chemical_name_systematic        'Li (I O3)'
_space_group_IT_number           86
_symmetry_space_group_name_Hall  'P 4n -1n'
_symmetry_space_group_name_H-M   'P 42/n :1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   9.66
_cell_length_b                   9.66
_cell_length_c                   6.21
_cell_volume                     579.490
_citation_journal_id_ASTM        DANKAS
_cod_data_source_file            Azarova_DANKAS_1972_316.cif
_cod_data_source_block           I1Li1O3
_cod_original_cell_volume        579.4899
_cod_original_sg_symbol_Hall     '-P 4bc (x+1/4,y+1/4,z+1/4)'
_cod_original_formula_sum        'I1 Li1 O3'
_cod_database_code               1529576