LMucko/crystallography-open-database huggingface dataset:
O/N ordering in Y2 Si3 O3 N4 with the melilite-type structure from first-principles calculations
Fang, C.M.; de Wijs, G.A.; de Groot, R.A.; Metselaar, R.; Hintzen, H.T.; de With, G.; Chemistry of Materials (1,1989-) 12 (2000) 1071–1075; doi:

data_4002227
_publ_section_title
;
 O/N ordering in Y2 Si3 O3 N4 with the melilite-type structure from
 first-principles calculations
;
_journal_name_full               'Chemistry of Materials (1,1989-)'
_journal_page_first              1071
_journal_page_last               1075
_journal_volume                  12
_journal_year                    2000
_chemical_formula_sum            'N4 O3 Si3 Y2'
_chemical_name_systematic        'Y2 (Si3 O3 N4)'
_space_group_IT_number           113
_symmetry_space_group_name_Hall  'P -4 2ab'
_symmetry_space_group_name_H-M   'P -4 21 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   7.652
_cell_length_b                   7.652
_cell_length_c                   4.96
_cell_volume                     290.423
_citation_journal_id_ASTM        CMATEX
_cod_data_source_file            Fang_CMATEX_2000_1008.cif
_cod_data_source_block           N4O3Si3Y2
_cod_original_cell_volume        290.4234
_cod_database_code               4002227
Synthesis and crystal structure of a new compound Sr6 Sn2 Nb8 O30
Fang, L.; Wu, B.-L.; Zhang, H.; Yuan, R.-Z.; Journal of Wuhan University of Technology 14 (1999) 35–39; doi:

data_1520982
_publ_section_title
;
 Synthesis and crystal structure of a new compound Sr6 Sn2 Nb8 O30
;
_journal_name_full               'Journal of Wuhan University of Technology'
_journal_page_first              35
_journal_page_last               39
_journal_volume                  14
_journal_year                    1999
_chemical_formula_sum            'Nb8 O30 Sn2 Sr6'
_chemical_name_systematic        'Sr6 (Sn2 Nb8 O30)'
_space_group_IT_number           35
_symmetry_space_group_name_Hall  'C 2 -2'
_symmetry_space_group_name_H-M   'C m m 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   17.579
_cell_length_b                   17.509
_cell_length_c                   7.788
_cell_volume                     2397.074
_citation_journal_id_ASTM        JWUTE8
_cod_data_source_file            Fang_JWUTE8_1999_428.cif
_cod_data_source_block           Nb8O30Sn2Sr6
_cod_database_code               1520982
A structural redetermination of Co4 (C O)12: evidence for dynamic disorder and the pathway of metal atom migration in the crystalline phase
Farrugia, L.J.; Braga, D.; Grepioni, F.; Journal of Organometallic Chemistry 573 (1999) 60–66; doi:

data_4031164
_publ_section_title
;
 A structural redetermination of Co4 (C O)12: evidence for dynamic
 disorder and the pathway of metal atom migration in the crystalline phase
;
_journal_name_full               'Journal of Organometallic Chemistry'
_journal_page_first              60
_journal_page_last               66
_journal_volume                  573
_journal_year                    1999
_chemical_formula_sum            'C12 Co4 O12'
_chemical_name_systematic        'Co4 (C O)12'
_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                   8.9912
_cell_length_b                   11.6988
_cell_length_c                   17.246
_cell_volume                     1814.042
_citation_journal_id_ASTM        JORCAI
_cod_data_source_file            Farrugia_JORCAI_1999_186.cif
_cod_data_source_block           C12Co4O12
_cod_database_code               4031164
Dynamic disorder and fluxionality in M3 (C O)12 clusters: variable-temperature X-ray diffraction studies on Fen Ru3-n (C O)12 (n = 1,2) and the low-temperature phase of Fe3 (C O)12
Farrugia, L.J.; Gillon, A.L.; Braga, D.; Grepioni, F.; Organometallics 18 (1999) 5022–5033; doi:

data_4086031
_publ_section_title
;
 Dynamic disorder and fluxionality in M3 (C O)12 clusters:
 variable-temperature X-ray diffraction studies on Fen Ru3-n (C O)12 (n =
 1,2) and the low-temperature phase of Fe3 (C O)12
;
_journal_name_full               Organometallics
_journal_page_first              5022
_journal_page_last               5033
_journal_volume                  18
_journal_year                    1999
_chemical_formula_sum            'C12 Fe2 O11 Ru'
_chemical_name_systematic        'Fe2 Ru (C O)12'
_space_group_IT_number           7
_symmetry_space_group_name_Hall  'P -2yac'
_symmetry_space_group_name_H-M   'P 1 n 1'
_cell_angle_alpha                90
_cell_angle_beta                 96.531
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.3068
_cell_length_b                   22.468
_cell_length_c                   8.883
_cell_volume                     1647.139
_citation_journal_id_ASTM        ORGND7
_cod_data_source_file            Farrugia_ORGND7_1999_563.cif
_cod_data_source_block           C12Fe2O11Ru1
_cod_original_sg_symbol_Hall     'P -2yc (x-z,y,z)'
_cod_original_formula_sum        'C12 Fe2 O11 Ru1'
_cod_database_code               4086031
Dynamic disorder and fluxionality in M3 (C O)12 clusters: variable-temperature X-ray diffraction studies on Fen Ru3-n (C O)12(n = 1,2) and the low-temperature phase of Fe3 (C O)12
Farrugia, L.J.; Gillon, A.L.; Braga, D.; Grepioni, F.; Organometallics 18 (1999) 5022–5033; doi:

data_4086032
_publ_section_title
;
 Dynamic disorder and fluxionality in M3 (C O)12 clusters:
 variable-temperature X-ray diffraction studies on Fen Ru3-n (C O)12(n =
 1,2) and the low-temperature phase of Fe3 (C O)12
;
_journal_name_full               Organometallics
_journal_page_first              5022
_journal_page_last               5033
_journal_volume                  18
_journal_year                    1999
_chemical_formula_sum            'C12 Fe2 O12 Ru'
_chemical_name_systematic        'Fe2 Ru (C O)12'
_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                 96.84
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   8.4
_cell_length_b                   11.42
_cell_length_c                   8.943
_cell_volume                     851.778
_citation_journal_id_ASTM        ORGND7
_cod_data_source_file            Farrugia_ORGND7_1999_564.cif
_cod_data_source_block           C12Fe2O12Ru1
_cod_original_cell_volume        851.7781
_cod_original_sg_symbol_Hall     '-P 2ybc (x-z,y,z)'
_cod_original_formula_sum        'C12 Fe2 O12 Ru1'
_cod_database_code               4086032
Dynamic disorder and fluxionality in M3 (C O)12 clusters: variable-temperature X-ray diffraction studies on Fen Ru3-n (C O)12 (n = 1,2) and the low-temperature phase of Fe3 (C O)12
Farrugia, L.J.; Grepioni, F.; Gillon, A.L.; Braga, D.; Organometallics 18 (1999) 5022–5033; doi:

data_4086033
_publ_section_title
;
 Dynamic disorder and fluxionality in M3 (C O)12 clusters:
 variable-temperature X-ray diffraction studies on Fen Ru3-n (C O)12 (n =
 1,2) and the low-temperature phase of Fe3 (C O)12
;
_journal_name_full               Organometallics
_journal_page_first              5022
_journal_page_last               5033
_journal_volume                  18
_journal_year                    1999
_chemical_formula_sum            'C12 Fe O12 Ru2'
_chemical_name_systematic        'Fe (Ru2 (C O)12)'
_space_group_IT_number           41
_symmetry_space_group_name_Hall  'A 2 -2ab'
_symmetry_space_group_name_H-M   'A b a 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   22.639
_cell_length_b                   12.8789
_cell_length_c                   11.6326
_cell_volume                     3391.664
_citation_journal_id_ASTM        ORGND7
_cod_data_source_file            Farrugia_ORGND7_1999_565.cif
_cod_data_source_block           C12Fe1O12Ru2
_cod_original_formula_sum        'C12 Fe1 O12 Ru2'
_cod_database_code               4086033
Phase equilibria and crystal structure of compounds in the Fe - Zn - Sb system at 570 K
Chumak, I.V.; Pavlyuk, V.V.; Dmytriv, G.S.; Stepien-Damm, Yu.; Journal of Alloys Compd. 307 (2000) 223–225; doi:

data_1520983
_publ_section_title
;
 Phase equilibria and crystal structure of compounds in the Fe - Zn - Sb
 system at 570 K
;
_journal_name_full               'Journal of Alloys Compd.'
_journal_page_first              223
_journal_page_last               225
_journal_volume                  307
_journal_year                    2000
_chemical_formula_sum            'Fe Sb2'
_space_group_IT_number           58
_symmetry_space_group_name_Hall  '-P 2 2n'
_symmetry_space_group_name_H-M   'P n n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.823
_cell_length_b                   6.523
_cell_length_c                   3.194
_cell_volume                     121.319
_citation_journal_id_ASTM        JALCEU
_cod_data_source_file            Chumak_JALCEU_2000_1391.cif
_cod_data_source_block           Fe1Sb2
_cod_original_cell_volume        121.3191
_cod_original_formula_sum        'Fe1 Sb2'
_cod_database_code               1520983
Dynamic disorder and fluxionality in M3 (C O)12 clusters: variable-temperature X-ray diffraction studies on Fen Ru3-n (C O)12(n = 1,2) and the low-temperature phase of Fe3 (C O)12
Farrugia, L.J.; Grepioni, F.; Gillon, A.L.; Braga, D.; Organometallics 18 (1999) 5022–5033; doi:

data_4086034
_publ_section_title
;
 Dynamic disorder and fluxionality in M3 (C O)12 clusters:
 variable-temperature X-ray diffraction studies on Fen Ru3-n (C O)12(n =
 1,2) and the low-temperature phase of Fe3 (C O)12
;
_journal_name_full               Organometallics
_journal_page_first              5022
_journal_page_last               5033
_journal_volume                  18
_journal_year                    1999
_chemical_formula_sum            'C12 Fe O12 Ru2'
_chemical_name_systematic        'Fe Ru2 (C O)12'
_space_group_IT_number           64
_symmetry_space_group_name_Hall  '-C 2ac 2ac'
_symmetry_space_group_name_H-M   'C c m b'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.65
_cell_length_b                   13.0643
_cell_length_c                   11.4808
_cell_volume                     1747.367
_citation_journal_id_ASTM        ORGND7
_cod_data_source_file            Farrugia_ORGND7_1999_567.cif
_cod_data_source_block           C12Fe1O12Ru2
_cod_original_sg_symbol_Hall     '-C 2ac 2 (y,-x,z)'
_cod_original_formula_sum        'C12 Fe1 O12 Ru2'
_cod_database_code               4086034
Structure of Zr2 O N2 by neutron powder diffraction: the absence of nitride-oxide ordering
Clarke, S.J.; Rosseinsky, M.J.; Michie, C.W.; Journal of Solid State Chemistry 146 (1999) 399–405; doi:

data_1520984
_publ_section_title
;
 Structure of Zr2 O N2 by neutron powder diffraction: the absence of
 nitride-oxide ordering
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              399
_journal_page_last               405
_journal_volume                  146
_journal_year                    1999
_chemical_formula_sum            'Hf2 N2 O'
_chemical_name_systematic        'Hf2 O N2'
_space_group_IT_number           206
_symmetry_space_group_name_Hall  '-I 2b 2c 3'
_symmetry_space_group_name_H-M   'I a -3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            16
_cell_length_a                   10.0692
_cell_length_b                   10.0692
_cell_length_c                   10.0692
_cell_volume                     1020.904
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Clarke_JSSCBI_1999_278.cif
_cod_data_source_block           Hf2N2O1
_cod_original_formula_sum        'Hf2 N2 O1'
_cod_database_code               1520984
Crystal chemistry of europium fullerides
Claves, D.; Ksari-Habiles, Y.; Chouteau, G.; Touzain, P.; Solid State Communications 106 (1998) 431–435; doi:

data_1520985
_publ_section_title
;
 Crystal chemistry of europium fullerides
;
_journal_name_full               'Solid State Communications'
_journal_page_first              431
_journal_page_last               435
_journal_volume                  106
_journal_year                    1998
_chemical_formula_sum            'C60 Eu6'
_chemical_name_systematic        'Eu6 C60'
_space_group_IT_number           204
_symmetry_space_group_name_Hall  '-I 2 2 3'
_symmetry_space_group_name_H-M   'I m -3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   10.97
_cell_length_b                   10.97
_cell_length_c                   10.97
_cell_volume                     1320.140
_citation_journal_id_ASTM        SSCOA4
_cod_data_source_file            Claves_SSCOA4_1998_251.cif
_cod_data_source_block           C60Eu6
_cod_original_cell_volume        1320.14
_cod_database_code               1520985
The Crystal Structure of Disodium Dihydrogen Hypophosphate Hexahydrate Na2 (H2 P2 O6) (H2 O)6 and Disodium Dihydrogen Pyrophosphate Hexahydrate Na2 (H2 P2 O7) (H2 O)6
Collin, R.L.; Willis, M.; Acta Crystallographica B (24,1968-38,1982) 27 (1971) 291–302; doi:

data_2106042
_publ_section_title
;
 The Crystal Structure of Disodium Dihydrogen Hypophosphate Hexahydrate
 Na2 (H2 P2 O6) (H2 O)6 and Disodium Dihydrogen Pyrophosphate Hexahydrate
 Na2 (H2 P2 O7) (H2 O)6
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              291
_journal_page_last               302
_journal_volume                  27
_journal_year                    1971
_chemical_formula_sum            'H14 Na2 O12 P2'
_chemical_name_systematic        'Na2 (H2 P2 O6) (H2 O)6'
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 115.94
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   14.09
_cell_length_b                   6.998
_cell_length_c                   12.7
_cell_volume                     1126.083
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            Collin_ACBCAR_1971_1518.cif
_cod_data_source_block           H14Na2O12P2
_cod_database_code               2106042
Synthesis and crystal structure determination of Cs3 Mg2 P6 O17 N : the first example of a nitrido-oxo-cyclo-hexa phosphate
Feldmann, W.; l'Haridon, P.; Marchand, R.; Journal of Solid State Chemistry 153 (2000) 185–191; doi:

data_1520986
_publ_section_title
;
 Synthesis and crystal structure determination of Cs3 Mg2 P6 O17 N : the
 first example of a nitrido-oxo-cyclo-hexa phosphate
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              185
_journal_page_last               191
_journal_volume                  153
_journal_year                    2000
_chemical_formula_sum            'Cs3 Mg2 N O17 P6'
_chemical_name_systematic        'Cs3 Mg2 (P6 O17 N)'
_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                   12.239
_cell_length_b                   12.239
_cell_length_c                   12.239
_cell_volume                     1833.318
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Feldmann_JSSCBI_2000_1950.cif
_cod_data_source_block           Cs3Mg2N1O17P6
_cod_original_formula_sum        'Cs3 Mg2 N1 O17 P6'
_cod_database_code               1520986
The Crystal Structure of Disodium Dihydrogen Hypophosphate Hexahydrate Na2 (H2 P2 O6) (H2 O)6 and Disodium Dihydrogen Pyrophosphate Hexahydrate Na2 (H2 P2 O7) (H2 O)6
Collin, R.L.; Willis, M.; Acta Crystallographica B (24,1968-38,1982) 27 (1971) 291–302; doi:

data_2106043
_publ_section_title
;
 The Crystal Structure of Disodium Dihydrogen Hypophosphate Hexahydrate
 Na2 (H2 P2 O6) (H2 O)6 and Disodium Dihydrogen Pyrophosphate Hexahydrate
 Na2 (H2 P2 O7) (H2 O)6
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              291
_journal_page_last               302
_journal_volume                  27
_journal_year                    1971
_chemical_formula_sum            'H14 Na2 O13 P2'
_chemical_name_systematic        'Na2 (H2 P2 O7) (H2 O)6'
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 117.69
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   14.009
_cell_length_b                   6.959
_cell_length_c                   13.455
_cell_volume                     1161.486
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            Collin_ACBCAR_1971_1524.cif
_cod_data_source_block           H14Na2O13P2
_cod_database_code               2106043
Tantalum chlorides in octahedral cluster chemistry: the structures of Cs2 Pb Ta6 Cl18 and Cs Pb Ta6 Cl18
Cordier, S.; Sergent, M.; Loisel, C.; Perrin, C.; Journal of Solid State Chemistry 147 (1999) 350–357; doi:

data_1520987
_publ_section_title
;
 Tantalum chlorides in octahedral cluster chemistry: the structures of Cs2
 Pb Ta6 Cl18 and Cs Pb Ta6 Cl18
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              350
_journal_page_last               357
_journal_volume                  147
_journal_year                    1999
_chemical_formula_sum            'Cl18 Cs2 Pb Ta6'
_chemical_name_systematic        'Cs2 Pb ((Ta Cl)6 Cl12)'
_space_group_IT_number           148
_symmetry_space_group_name_Hall  '-P 3*'
_symmetry_space_group_name_H-M   'R -3 :R'
_cell_angle_alpha                54.645
_cell_angle_beta                 54.645
_cell_angle_gamma                54.645
_cell_formula_units_Z            1
_cell_length_a                   10.291
_cell_length_b                   10.291
_cell_length_c                   10.291
_cell_volume                     674.495
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Cordier_JSSCBI_1999_313.cif
_cod_data_source_block           Cl18Cs2Pb1Ta6
_cod_original_cell_volume        674.4949
_cod_original_sg_symbol_Hall     '-R 3 (-y+z,x+z,-x+y+z)'
_cod_original_formula_sum        'Cl18 Cs2 Pb1 Ta6'
_cod_database_code               1520987
Tantalum chlorides in octahedral cluster chemistry: the structures of Cs2 Pb Ta6 Cl18 and Cs Pb Ta6 Cl18
Cordier, S.; Loisel, C.; Sergent, M.; Perrin, C.; Journal of Solid State Chemistry 147 (1999) 350–357; doi:

data_1520988
_publ_section_title
;
 Tantalum chlorides in octahedral cluster chemistry: the structures of Cs2
 Pb Ta6 Cl18 and Cs Pb Ta6 Cl18
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              350
_journal_page_last               357
_journal_volume                  147
_journal_year                    1999
_chemical_formula_sum            'Cl18 Cs Pb Ta6'
_chemical_name_systematic        'Cs Pb ((Ta Cl)6 Cl12)'
_space_group_IT_number           163
_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            2
_cell_length_a                   9.2673
_cell_length_b                   9.2673
_cell_length_c                   17.249
_cell_volume                     1282.924
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Cordier_JSSCBI_1999_314.cif
_cod_data_source_block           Cl18Cs1Pb1Ta6
_cod_original_formula_sum        'Cl18 Cs1 Pb1 Ta6'
_cod_database_code               1520988
Synthesis and crystal structure of new layered perovskite compounds: Li2 La0.833 (Nb1.5 Ti0.5) O7 and Li2 La2.25 (Nb1.25 Ti2.75) O13
Crosnier-Lopez, M.P.; Duroy, H.; Fourquet, J.L.; Materials Research Bulletin 34 (1999) 179–191; doi:

data_1520989
_publ_section_title
;
 Synthesis and crystal structure of new layered perovskite compounds: Li2
 La0.833 (Nb1.5 Ti0.5) O7 and Li2 La2.25 (Nb1.25 Ti2.75) O13
;
_journal_name_full               'Materials Research Bulletin'
_journal_page_first              179
_journal_page_last               191
_journal_volume                  34
_journal_year                    1999
_chemical_formula_sum            'La0.889 Li2 Nb1.5 O7 Ti0.5'
_chemical_name_systematic        'Li2 La0.889 (Nb1.5 Ti0.5) O7'
_space_group_IT_number           136
_symmetry_space_group_name_Hall  '-P 4n 2n'
_symmetry_space_group_name_H-M   'P 42/m n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.5334
_cell_length_b                   5.5334
_cell_length_c                   18.39069
_cell_volume                     563.096
_citation_journal_id_ASTM        MRBUAC
_cod_data_source_file            Crosnier-Lopez_MRBUAC_1999_509.cif
_cod_data_source_block           La0.889Li2Nb1.5O7Ti0.5
_cod_original_cell_volume        563.0956
_cod_database_code               1520989
Synthesis and crystal structure of new layered perovskite compounds: Li2 La0.833 (Nb1.5 Ti0.5) O7 and Li2 La2.25 (Nb1.25 Ti2.75) O13
Crosnier-Lopez, M.P.; Fourquet, J.L.; Duroy, H.; Materials Research Bulletin 34 (1999) 179–191; doi:

data_1520990
_publ_section_title
;
 Synthesis and crystal structure of new layered perovskite compounds: Li2
 La0.833 (Nb1.5 Ti0.5) O7 and Li2 La2.25 (Nb1.25 Ti2.75) O13
;
_journal_name_full               'Materials Research Bulletin'
_journal_page_first              179
_journal_page_last               191
_journal_volume                  34
_journal_year                    1999
_chemical_formula_sum            'La2.25 Li2 Nb1.25 O13 Ti2.75'
_chemical_name_systematic        'Li2 La2.25 (Nb1.25 Ti2.75) O13'
_space_group_IT_number           136
_symmetry_space_group_name_Hall  '-P 4n 2n'
_symmetry_space_group_name_H-M   'P 42/m n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.4915
_cell_length_b                   5.4915
_cell_length_c                   33.812
_cell_volume                     1019.654
_citation_journal_id_ASTM        MRBUAC
_cod_data_source_file            Crosnier-Lopez_MRBUAC_1999_510.cif
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