LMucko/crystallography-open-database huggingface dataset:
Evolution structurale de nouvelles Perovskites lacunaires Y~x~ (Ta~3X~ W~1-3X~) O~3~
Studer, F; Montfort, Y; Raveau, B; Journal of Solid State Chemistry 7 (1973) 269–276; doi:10.1016/0022-4596(73)90133-3

data_1001125
_publ_section_title
;
Evolution structurale de nouvelles Perovskites lacunaires Y~x~ (Ta~3X~
W~1-3X~) O~3~
;
_journal_coden_ASTM              JSSCBI
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              269
_journal_page_last               276
_journal_paper_doi               10.1016/0022-4596(73)90133-3
_journal_volume                  7
_journal_year                    1973
_chemical_formula_structural     'Y0.30 (TA0.90 W0.10) O3'
_chemical_formula_sum            'O3 Ta0.9 W0.1 Y0.3'
_chemical_name_systematic
;
Yttrium tantalum tungsten oxide (0.3/0.9/0.1/3)
;
_space_group_IT_number           123
_symmetry_cell_setting           tetragonal
_symmetry_Int_Tables_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            2
_cell_length_a                   3.833
_cell_length_b                   3.833
_cell_length_c                   7.727
_cell_volume                     113.5
_refine_ls_R_factor_all          0.07
_cod_original_formula_sum        'O3 Ta.9 W.1 Y.3'
_cod_database_code               1001125
Synthese et evolution structurale de nouveaux pyrochlores au bismuth
Jeanne, G; Desgardin, G; Raveau, B; Materials Research Bulletin 9 (1974) 1321–1332; doi:10.1016/0025-5408(74)90054-3

data_1001126
_publ_section_title
;
Synthese et evolution structurale de nouveaux pyrochlores au bismuth
;
_journal_coden_ASTM              MRBUAC
_journal_name_full               'Materials Research Bulletin'
_journal_page_first              1321
_journal_page_last               1332
_journal_paper_doi               10.1016/0025-5408(74)90054-3
_journal_volume                  9
_journal_year                    1974
_chemical_formula_structural     'BI1.50 ZN.50 (TA1.50 ZN.50) O7'
_chemical_formula_sum            'Bi1.5 O7 Ta1.5 Zn'
_chemical_name_systematic        'BISMUTH ZINC TANTALUM OXIDE (1.5/1/1.5/7)'
_space_group_IT_number           227
_symmetry_cell_setting           cubic
_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            8
_cell_length_a                   10.54
_cell_length_b                   10.54
_cell_length_c                   10.54
_cell_volume                     1170.9
_exptl_crystal_density_meas      8.65
_refine_ls_R_factor_all          0.08
_cod_original_sg_symbol_H-M      'F d -3 m S'
_cod_database_code               1001126
Etude Structurale d'une Phase haute Temperature instable du Chlorate de Sodium
Meyer, D; Gasperin, M; Bulletin de la Societe Francaise de Mineralogie et de Cristallographie (72,1949-100,1977) 96 (1973) 18–20; doi:

data_1001127
_publ_section_title
;
Etude Structurale d'une Phase haute Temperature instable du Chlorate de
Sodium
;
_journal_coden_ASTM              BUFCAE
_journal_name_full
;
Bulletin de la Societe Francaise de Mineralogie et de Cristallographie
(72,1949-100,1977)
;
_journal_page_first              18
_journal_page_last               20
_journal_volume                  96
_journal_year                    1973
_chemical_formula_structural     'Na (Cl O3)'
_chemical_formula_sum            'Cl Na O3'
_chemical_name_systematic
;
Sodium chlorate - metastable high temperature (255C) phase III
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 110.(1)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.78(5)
_cell_length_b                   5.17(5)
_cell_length_c                   6.88(5)
_cell_volume                     293.5
_refine_ls_R_factor_all          0.16
_cod_database_code               1001127
Determinations crystallographiques et magnetiques sur l'oxyde mixte de formule Ba~2~ Mn U O~6~
Grenet, J C; Poix, P; Michel, A; Annales de Chimie (Paris) (Vol=Year) 1972 (1972) 231–234; doi:

data_1001128
_publ_section_title
;
Determinations crystallographiques et magnetiques sur l'oxyde mixte de
formule Ba~2~ Mn U O~6~
;
_journal_coden_ASTM              ANCPAC
_journal_name_full               'Annales de Chimie (Paris) (Vol=Year)'
_journal_page_first              231
_journal_page_last               234
_journal_volume                  1972
_journal_year                    1972
_chemical_formula_structural     'BA2 MN U O6'
_chemical_formula_sum            'Ba2 Mn O6 U'
_chemical_name_systematic        'Dibarium manganese uranium(VI) oxide'
_space_group_IT_number           225
_symmetry_cell_setting           cubic
_symmetry_Int_Tables_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                   8.469(3)
_cell_length_b                   8.469(3)
_cell_length_c                   8.469(3)
_cell_volume                     607.4
_refine_ls_R_factor_all          0.047
_cod_database_code               1001128
Nouveaux oxydes a structure en feuillets: Les titanates de potassium non-stoechiometriques K~X~ (M~Y~ Ti~2-Y~) O~4~
Groult, D; Mercey, C; Raveau, B; Journal of Solid State Chemistry 32 (1980) 289–296; doi:10.1016/S0022-4596(80)80022-3

data_1001129
_publ_section_title
;
Nouveaux oxydes a structure en feuillets: Les titanates de potassium
non-stoechiometriques K~X~ (M~Y~ Ti~2-Y~) O~4~
;
_journal_coden_ASTM              JSSCBI
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              289
_journal_page_last               296
_journal_paper_doi               10.1016/S0022-4596(80)80022-3
_journal_volume                  32
_journal_year                    1980
_chemical_formula_structural     'K.80 Mg.40 Ti1.60 O4'
_chemical_formula_sum            'K0.8 Mg0.4 O4 Ti1.6'
_chemical_name_systematic
;
Potassium magnesium titanium oxide (0.8/0.4/1.6/4)
;
_space_group_IT_number           36
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      36
_symmetry_space_group_name_Hall  'C 2c -2'
_symmetry_space_group_name_H-M   'C m c 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   3.8207(5)
_cell_length_b                   15.641(5)
_cell_length_c                   2.9814(5)
_cell_volume                     178.2
_exptl_crystal_density_meas      3.4
_refine_ls_R_factor_all          0.053
_cod_original_formula_sum        'K.8 Mg.4 O4 Ti1.6'
_cod_database_code               1001129
Nouveaux oxydes a structure en feuillets: Les titanates de potassium non-stoechiometriques K~X~ (M~Y~ Ti~2-Y~) O~4~
Groult, D; Mercey, C; Raveau, B; Journal of Solid State Chemistry 32 (1980) 289–296; doi:10.1016/S0022-4596(80)80022-3

data_1001130
_publ_section_title
;
Nouveaux oxydes a structure en feuillets: Les titanates de potassium
non-stoechiometriques K~X~ (M~Y~ Ti~2-Y~) O~4~
;
_journal_coden_ASTM              JSSCBI
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              289
_journal_page_last               296
_journal_paper_doi               10.1016/S0022-4596(80)80022-3
_journal_volume                  32
_journal_year                    1980
_chemical_formula_structural     'K.80 Zn.40 Ti1.60 O4'
_chemical_formula_sum            'K0.8 O4 Ti1.6 Zn0.4'
_chemical_name_systematic
;
Potassium zinc titanium oxide (0.8/0.4/1.6/4)
;
_space_group_IT_number           36
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      36
_symmetry_space_group_name_Hall  'C 2c -2'
_symmetry_space_group_name_H-M   'C m c 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   3.8064(5)
_cell_length_b                   15.692(5)
_cell_length_c                   2.9850(5)
_cell_volume                     178.3
_exptl_crystal_density_meas      3.67
_refine_ls_R_factor_all          0.052
_cod_original_formula_sum        'K.8 O4 Ti1.6 Zn.4'
_cod_database_code               1001130
A Layer Structure: The Titanoniobate Cs Ti~2~ Nb O~7~
Hervieu, M; Raveau, B; Journal of Solid State Chemistry 32 (1980) 161–165; doi:10.1016/0022-4596(80)90562-9

data_1001131
_publ_section_title
;
A Layer Structure: The Titanoniobate Cs Ti~2~ Nb O~7~
;
_journal_coden_ASTM              JSSCBI
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              161
_journal_page_last               165
_journal_paper_doi               10.1016/0022-4596(80)90562-9
_journal_volume                  32
_journal_year                    1980
_chemical_formula_structural     'Cs Ti2 Nb O7'
_chemical_formula_sum            'Cs Nb O7 Ti2'
_chemical_name_systematic        'Caesium dititanium niobium oxide'
_space_group_IT_number           62
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      62
_symmetry_space_group_name_Hall  '-P 2c 2n'
_symmetry_space_group_name_H-M   'P n a m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.326
_cell_length_b                   18.412
_cell_length_c                   3.798
_cell_volume                     652.2
_exptl_crystal_density_meas      4.44
_refine_ls_R_factor_all          0.074
_cod_database_code               1001131
Preparation et etude cristallographique du systeme Ba~2~ Mg U O~6~ - Ba~2~ Fe~1.333~ U.~667~ O~6~
Padel, L; Poix, P; Michel, A; Revue de Chimie Minerale 9 (1972) 337–350; doi:

data_1001132
_publ_section_title
;
Preparation et etude cristallographique du systeme Ba~2~ Mg U O~6~ -
Ba~2~ Fe~1.333~ U.~667~ O~6~
;
_journal_coden_ASTM              RVCMA8
_journal_name_full               'Revue de Chimie Minerale'
_journal_page_first              337
_journal_page_last               350
_journal_volume                  9
_journal_year                    1972
_chemical_formula_structural     'Ba2 Mg U O6'
_chemical_formula_sum            'Ba2 Mg O6 U'
_chemical_name_systematic        'Dibarium magnesium uranium(VI) oxide'
_space_group_IT_number           225
_symmetry_cell_setting           cubic
_symmetry_Int_Tables_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                   8.379
_cell_length_b                   8.379
_cell_length_c                   8.379
_cell_volume                     588.3
_refine_ls_R_factor_all          0.058
_cod_database_code               1001132
Preparation et etude cristallographique du systeme Ba~2~ Mg U O~6~ - Ba~2~ Fe~1.333~ U.~667~ O~6~
Padel, L; Poix, P; Michel, A; Revue de Chimie Minerale 9 (1972) 337–350; doi:

data_1001133
_publ_section_title
;
Preparation et etude cristallographique du systeme Ba~2~ Mg U O~6~ -
Ba~2~ Fe~1.333~ U.~667~ O~6~
;
_journal_coden_ASTM              RVCMA8
_journal_name_full               'Revue de Chimie Minerale'
_journal_page_first              337
_journal_page_last               350
_journal_volume                  9
_journal_year                    1972
_chemical_formula_structural     'Ba2 Fe1.333 U.667 O6'
_chemical_formula_sum            'Ba2 Fe1.333 O6 U0.667'
_chemical_name_systematic        'Barium iron uranium oxide (2/1.3/0.7/6)'
_space_group_IT_number           205
_symmetry_cell_setting           cubic
_symmetry_Int_Tables_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                   8.25
_cell_length_b                   8.25
_cell_length_c                   8.25
_cell_volume                     561.5
_refine_ls_R_factor_all          0.0428
_cod_original_formula_sum        'Ba2 Fe1.333 O6 U.667'
_cod_database_code               1001133
Preparation et etude cristallographique du systeme Ba~2~ Mg U O~6~ - Ba~2~ Fe~1.333~ U.~667~ O~6~
Padel, L; Poix, P; Michel, A; Revue de Chimie Minerale 9 (1972) 337–350; doi:

data_1001134
_publ_section_title
;
Preparation et etude cristallographique du systeme Ba~2~ Mg U O~6~ -
Ba~2~ Fe~1.333~ U.~667~ O~6~
;
_journal_coden_ASTM              RVCMA8
_journal_name_full               'Revue de Chimie Minerale'
_journal_page_first              337
_journal_page_last               350
_journal_volume                  9
_journal_year                    1972
_chemical_formula_structural     'Ba2 Mg.5 Fe.667 U.833 O6'
_chemical_formula_sum            'Ba2 Fe0.667 Mg0.5 O6 U0.833'
_chemical_name_systematic
;
Barium magnesium iron uranium oxide (2/0.5/0.7/0.8/6)
;
_space_group_IT_number           205
_symmetry_cell_setting           cubic
_symmetry_Int_Tables_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                   8.328
_cell_length_b                   8.328
_cell_length_c                   8.328
_cell_volume                     577.6
_refine_ls_R_factor_all          0.053
_cod_original_formula_sum        'Ba2 Fe.667 Mg.5 O6 U.833'
_cod_database_code               1001134
Structure de Cd~4~ P~2~ I~3~
Rebbah, A; Yazbeck, J; Deschanvres, A; Acta Crystallographica B (24,1968-38,1982) 36 (1980) 1747–1749; doi:10.1107/S0567740880007157

data_1001135
_publ_section_title              'Structure de Cd~4~ P~2~ I~3~'
_journal_coden_ASTM              ACBCAR
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              1747
_journal_page_last               1749
_journal_paper_doi               10.1107/S0567740880007157
_journal_volume                  36
_journal_year                    1980
_chemical_formula_structural     'Cd4 P2 I3'
_chemical_formula_sum            'Cd4 I3 P2'
_chemical_name_systematic        'Cadmium phosphide iodide (4/2/3)'
_space_group_IT_number           61
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_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                   12.890(2)
_cell_length_b                   12.725(2)
_cell_length_c                   12.654(3)
_cell_volume                     2075.6
_exptl_crystal_density_meas      5.74(3)
_refine_ls_R_factor_all          0.057
_cod_database_code               1001135
Silicates synthetiques a structure milarite
Nguyen, N; Choisnet, J; Raveau, B; Journal of Solid State Chemistry 34 (1980) 1–9; doi:10.1016/0022-4596(80)90395-3

data_1001136
_publ_section_title              'Silicates synthetiques a structure milarite'
_journal_coden_ASTM              JSSCBI
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              1
_journal_page_last               9
_journal_paper_doi               10.1016/0022-4596(80)90395-3
_journal_volume                  34
_journal_year                    1980
_chemical_formula_structural     'K2 Mg3 Cu2 Si12 O30'
_chemical_formula_sum            'Cu2 K2 Mg3 O30 Si12'
_chemical_name_systematic
;
Dipotassium trimagnesium dicopper closo-30-oxododecasilicate
;
_space_group_IT_number           192
_symmetry_cell_setting           hexagonal
_symmetry_Int_Tables_number      192
_symmetry_space_group_name_Hall  '-P 6 2c'
_symmetry_space_group_name_H-M   'P 6/m c c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   10.169
_cell_length_b                   10.169
_cell_length_c                   14.182
_cell_volume                     1270.1
_refine_ls_R_factor_all          0.073
_cod_database_code               1001136
Silicates synthetiques a structure milarite
Nguyen, N; Choisnet, J; Raveau, B; Journal of Solid State Chemistry 34 (1980) 1–9; doi:10.1016/0022-4596(80)90395-3

data_1001137
_publ_section_title              'Silicates synthetiques a structure milarite'
_journal_coden_ASTM              JSSCBI
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              1
_journal_page_last               9
_journal_paper_doi               10.1016/0022-4596(80)90395-3
_journal_volume                  34
_journal_year                    1980
_chemical_formula_structural     'K2 Mg3 Zn2 Si12 O30'
_chemical_formula_sum            'K2 Mg3 O30 Si12 Zn2'
_chemical_name_systematic
;
Dipotassium trimagnesium dizinc closo-30-oxododecasilicate
;
_space_group_IT_number           192
_symmetry_cell_setting           hexagonal
_symmetry_Int_Tables_number      192
_symmetry_space_group_name_Hall  '-P 6 2c'
_symmetry_space_group_name_H-M   'P 6/m c c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   10.199
_cell_length_b                   10.199
_cell_length_c                   14.145
_cell_volume                     1274.2
_refine_ls_R_factor_all          0.078
_cod_database_code               1001137
Silicates synthetiques a structure milarite
Nguyen, N; Choisnet, J; Raveau, B; Journal of Solid State Chemistry 34 (1980) 1–9; doi:10.1016/0022-4596(80)90395-3

data_1001138
_publ_section_title              'Silicates synthetiques a structure milarite'
_journal_coden_ASTM              JSSCBI
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              1
_journal_page_last               9
_journal_paper_doi               10.1016/0022-4596(80)90395-3
_journal_volume                  34
_journal_year                    1980
_chemical_formula_structural     'Na2 Mg5 Si12 O30'
_chemical_formula_sum            'Mg5 Na2 O30 Si12'
_chemical_name_systematic
;
Disodium pentamagnesium closo-30-oxododecasilicate
;
_space_group_IT_number           192
_symmetry_cell_setting           hexagonal
_symmetry_Int_Tables_number      192
_symmetry_space_group_name_Hall  '-P 6 2c'
_symmetry_space_group_name_H-M   'P 6/m c c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   10.151
_cell_length_b                   10.151
_cell_length_c                   14.288
_cell_volume                     1275.0
_refine_ls_R_factor_all          0.065
_cod_database_code               1001138
Silicates synthetiques a structure milarite
Nguyen, N; Choisnet, J; Raveau, B; Journal of Solid State Chemistry 34 (1980) 1–9; doi:10.1016/0022-4596(80)90395-3

data_1001139
_publ_section_title              'Silicates synthetiques a structure milarite'
_journal_coden_ASTM              JSSCBI
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              1
_journal_page_last               9
_journal_paper_doi               10.1016/0022-4596(80)90395-3
_journal_volume                  34
_journal_year                    1980
_chemical_formula_structural     'Na2 Mg3 Cu2 Si12 O30'
_chemical_formula_sum            'Cu2 Mg3 Na2 O30 Si12'
_chemical_name_systematic
;
Disodium trimagnesium dicopper closo-30-oxododecasilicate
;
_space_group_IT_number           192
_symmetry_cell_setting           hexagonal
_symmetry_Int_Tables_number      192
_symmetry_space_group_name_Hall  '-P 6 2c'
_symmetry_space_group_name_H-M   'P 6/m c c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   10.096
_cell_length_b                   10.096
_cell_length_c                   14.25
_cell_volume                     1257.9
_refine_ls_R_factor_all          0.074
_cod_database_code               1001139
Silicates synthetiques a structure milarite
Nguyen, N; Choisnet, J; Raveau, B; Journal of Solid State Chemistry 34 (1980) 1–9; doi:10.1016/0022-4596(80)90395-3

data_1001140
_publ_section_title              'Silicates synthetiques a structure milarite'
_journal_coden_ASTM              JSSCBI
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              1
_journal_page_last               9
_journal_paper_doi               10.1016/0022-4596(80)90395-3
_journal_volume                  34
_journal_year                    1980
_chemical_formula_structural     'Rb Na Mg5 Si12 O30'
_chemical_formula_sum            'Mg5 Na O30 Rb Si12'
_chemical_name_systematic
;
Rubidium sodium pentamagnesium dodecasilicate
;
_space_group_IT_number           192
_symmetry_cell_setting           hexagonal
_symmetry_Int_Tables_number      192
_symmetry_space_group_name_Hall  '-P 6 2c'
_symmetry_space_group_name_H-M   'P 6/m c c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   10.135
_cell_length_b                   10.135
_cell_length_c                   14.376
_cell_volume                     1278.8
_refine_ls_R_factor_all          0.066
_cod_database_code               1001140
Silicates synthetiques a structure milarite
Nguyen, N; Choisnet, J; Raveau, B; Journal of Solid State Chemistry 34 (1980) 1–9; doi:10.1016/0022-4596(80)90395-3

data_1001141
_publ_section_title              'Silicates synthetiques a structure milarite'
_journal_coden_ASTM              JSSCBI
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              1
_journal_page_last               9
_journal_paper_doi               10.1016/0022-4596(80)90395-3
_journal_volume                  34
_journal_year                    1980
_chemical_formula_structural     'K3 Mg4 Li Si12 O30'
_chemical_formula_sum            'K3 Li Mg4 O30 Si12'
_chemical_name_systematic
;
Tripotassium tetramagnesium lithium closo-30-oxododecasilicate
;
_space_group_IT_number           192
_symmetry_cell_setting           hexagonal
_symmetry_Int_Tables_number      192
_symmetry_space_group_name_Hall  '-P 6 2c'
_symmetry_space_group_name_H-M   'P 6/m c c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   10.253
_cell_length_b                   10.253
_cell_length_c                   14.04
_cell_volume                     1278.2
_refine_ls_R_factor_all          0.068
_cod_database_code               1001141