LMucko/crystallography-open-database huggingface dataset:
Etude structurale, par diffraction des rayons X, du rubeanate de cuivre(I): Cu Cl (C~2~ N~2~ S~2~ H~4~)
Mosset, A; Abboudi, M; Galy, J; Zeitschrift fuer Kristallographie (149,1979-) 164 (1983) 181–188; doi:

data_1008177
_publ_section_title
;
Etude structurale, par diffraction des rayons X, du rubeanate de
cuivre(I): Cu Cl (C~2~ N~2~ S~2~ H~4~)
;
_journal_coden_ASTM              ZEKRDZ
_journal_name_full
;
Zeitschrift fuer Kristallographie (149,1979-)
;
_journal_page_first              181
_journal_page_last               188
_journal_volume                  164
_journal_year                    1983
_chemical_formula_structural     'Cu Cl (C2 N2 S2 H4)'
_chemical_formula_sum            'C2 H4 Cl Cu N2 S2'
_chemical_name_systematic        'Copper(I) 1,2dithiooxalicacidamide chloride'
_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                   15.576(3)
_cell_length_b                   6.923(3)
_cell_length_c                   11.416(3)
_cell_volume                     1231.0
_exptl_crystal_density_meas      2.35(3)
_refine_ls_R_factor_all          0.074
_cod_depositor_comments
;
 Correcting the summary chemical formula by changing it from 'Cl Cu H4 N2 S2'
 to 'C2 H4 Cl Cu N2 S2'.

 Antanas Vaitkus,
 2018-07-07

 Removing the _attached_hydrogen_atoms data item since explicit coordinates
 of all hydrogen atoms are provided.

 Antanas Vaitkus,
 2018-07-07
;
_cod_original_formula_sum        'H4 Cl Cu N2 S2'
_cod_database_code               1008177
Etude structurale des composes Fe~0.25~ Ti Se~2~ et Co~0.25~ Ti Se~2~ a cristaux macles. Surstructures et degre d'ordre des lacunes
Arnaud, Y; Chevreton, M; Journal of Solid State Chemistry 36 (1981) 151–160; doi:10.1016/0022-4596(81)90151-1

data_1008178
_publ_section_title
;
Etude structurale des composes Fe~0.25~ Ti Se~2~ et Co~0.25~ Ti Se~2~ a
cristaux macles. Surstructures et degre d'ordre des lacunes
;
_journal_coden_ASTM              JSSCBI
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              151
_journal_page_last               160
_journal_paper_doi               10.1016/0022-4596(81)90151-1
_journal_volume                  36
_journal_year                    1981
_chemical_formula_analytical     'Co0.25 Ti4 Se8'
_chemical_formula_structural     'Co0.555 Ti4 Se8'
_chemical_formula_sum            'Co0.555 Se8 Ti4'
_chemical_name_systematic        'Cobalt titanium selenide (.6/4/8)'
_space_group_IT_number           12
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_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                 90.33
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.301
_cell_length_b                   7.102
_cell_length_c                   11.826
_cell_volume                     1033.1
_cod_original_formula_sum        'Co.555 Se8 Ti4'
_cod_database_code               1008178
Crystal Structure of a New Cesium Manganese Vanadium Oxide, Cs~3~ Mn~3~ V~4~ O~16~
le Page, Y; Strobel, P; Inorganic Chemistry 21 (1982) 620–623; doi:10.1021/ic00132a031

data_1008179
_publ_section_title
;
Crystal Structure of a New Cesium Manganese Vanadium Oxide, Cs~3~ Mn~3~
V~4~ O~16~
;
_journal_coden_ASTM              INOCAJ
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              620
_journal_page_last               623
_journal_paper_doi               10.1021/ic00132a031
_journal_volume                  21
_journal_year                    1982
_chemical_formula_structural     'Cs3 Mn3 V4 O16'
_chemical_formula_sum            'Cs3 Mn3 O16 V4'
_chemical_name_systematic
;
Tricaesium trimanganese(III) tetravanadium oxide
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                77.70(1)
_cell_angle_beta                 89.72(1)
_cell_angle_gamma                82.62(1)
_cell_formula_units_Z            1
_cell_length_a                   5.1947(5)
_cell_length_b                   7.5017(7)
_cell_length_c                   11.4367(14)
_cell_volume                     431.7
_refine_ls_R_factor_all          0.052
_cod_database_code               1008179
Synthese et caracterisation d'une serie de titanates Perowskites isotypes de (Ca Cu~3~) (Mn~4~) O~12~
Bochu, B; Deschizeaux, M N; Joubert, J C; Collomb, A; Chenavas, J; Marezio, M; Journal of Solid State Chemistry 29 (1979) 291–298; doi:10.1016/0022-4596(79)90235-4

data_1008180
_publ_section_title
;
Synthese et caracterisation d'une serie de titanates Perowskites
isotypes de (Ca Cu~3~) (Mn~4~) O~12~
;
_journal_coden_ASTM              JSSCBI
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              291
_journal_page_last               298
_journal_paper_doi               10.1016/0022-4596(79)90235-4
_journal_volume                  29
_journal_year                    1979
_chemical_formula_structural     '(CA CU3) TI4 O12'
_chemical_formula_sum            'Ca Cu3 O12 Ti4'
_chemical_name_systematic        'CALCIUM TRICOPPER TETRATITANIUM OXIDE'
_space_group_IT_number           204
_symmetry_cell_setting           cubic
_symmetry_Int_Tables_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                   7.391(1)
_cell_length_b                   7.391(1)
_cell_length_c                   7.391(1)
_cell_volume                     403.7
_refine_ls_R_factor_all          0.01
_cod_database_code               1008180
Synthese et caracterisation d'une serie de titanates Perowskites isotypes de (Ca Cu~3~) (Mn~4~) O~12~
Bochu, B; Deschizeaux, M N; Joubert, J C; Collomb, A; Chenavas, J; Marezio, M; Journal of Solid State Chemistry 29 (1979) 291–298; doi:10.1016/0022-4596(79)90235-4

data_1008181
_publ_section_title
;
Synthese et caracterisation d'une serie de titanates Perowskites
isotypes de (Ca Cu~3~) (Mn~4~) O~12~
;
_journal_coden_ASTM              JSSCBI
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              291
_journal_page_last               298
_journal_paper_doi               10.1016/0022-4596(79)90235-4
_journal_volume                  29
_journal_year                    1979
_chemical_formula_structural     '(TB0.71 CU3) TI4 O12'
_chemical_formula_sum            'Cu3 O12 Tb0.71 Ti4'
_chemical_name_systematic        'TERBIUM COPPER TITANIUM OXIDE (0.7/3/4/12)'
_space_group_IT_number           204
_symmetry_cell_setting           cubic
_symmetry_Int_Tables_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                   7.383(1)
_cell_length_b                   7.383(1)
_cell_length_c                   7.383(1)
_cell_volume                     402.4
_refine_ls_R_factor_all          0.018
_cod_original_formula_sum        'Cu3 O12 Tb.71 Ti4'
_cod_database_code               1008181
Structure Cristalline du Composé β-RbLu~3~F~10~
Arbus, A.; Fournier, M. T.; Cousseins, J. C.; Védrine, A.; Chevalier, R.; Acta Crystallographica, Section B: Structural Crystallography and Crystal Chemistry 38 (1982) 75–79; doi:10.1107/S0567740882002088

data_1008182
_publ_section_title
;
 Structure Cristalline du Compos\'e  \b-RbLu~3~F~10~
;
_journal_coden_ASTM              ACBCAR
_journal_issue                   1
_journal_name_full
;
 Acta Crystallographica, Section B: Structural Crystallography and
 Crystal Chemistry
;
_journal_page_first              75
_journal_page_last               79
_journal_paper_doi               10.1107/S0567740882002088
_journal_volume                  38
_journal_year                    1982
_chemical_formula_structural     'Rb Lu3 F10'
_chemical_formula_sum            'F10 Lu3 Rb'
_chemical_name_systematic        'Rubidium trilutetium fluoride'
_space_group_IT_number           64
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      64
_symmetry_space_group_name_Hall  '-A 2 2ab'
_symmetry_space_group_name_H-M   'A c a m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   16.013(4)
_cell_length_b                   13.182(2)
_cell_length_c                   8.435(3)
_cell_volume                     1780.5
_exptl_crystal_density_meas      5.92(6)
_refine_ls_R_factor_all          0.078
_cod_database_code               1008182
Structure Cristalline d'un Orthoarseniate Acide Mixte de Cuivre(II)- Argent: Cu Ag H~3~ (As O~4~)~2~
Boudjada, A; Masse, R; Guitel, J C; Acta Crystallographica B (24,1968-38,1982) 38 (1982) 710–713; doi:10.1107/S0567740882003926

data_1008183
_publ_section_title
;
Structure Cristalline d'un Orthoarseniate Acide Mixte de Cuivre(II)-
Argent: Cu Ag H~3~ (As O~4~)~2~
;
_journal_coden_ASTM              ACBCAR
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              710
_journal_page_last               713
_journal_paper_doi               10.1107/S0567740882003926
_journal_volume                  38
_journal_year                    1982
_chemical_formula_structural     'Cu Ag H3 (As O4)2'
_chemical_formula_sum            'Ag As2 Cu H3 O8'
_chemical_name_systematic        'Copper silver trihydrogenbis(arsenate)'
_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                 103.73(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.716(3)
_cell_length_b                   7.704(3)
_cell_length_c                   9.209(3)
_cell_volume                     669.6
_refine_ls_R_factor_all          0.031
_cod_original_formula_sum        'H3 Ag As2 Cu O8'
_cod_database_code               1008183
Structure cristalline d'un Dihydrogeno-sulphato-iodate de Potassium
Averbuch-Pouchot, M T; Journal of Solid State Chemistry 41 (1982) 262–265; doi:10.1016/0022-4596(82)90144-X

data_1008184
_publ_section_title
;
Structure cristalline d'un Dihydrogeno-sulphato-iodate de Potassium
;
_journal_coden_ASTM              JSSCBI
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              262
_journal_page_last               265
_journal_paper_doi               10.1016/0022-4596(82)90144-X
_journal_volume                  41
_journal_year                    1982
_chemical_formula_structural     'K4 H2 (S2 I2 O14)'
_chemical_formula_sum            'H2 I2 K4 O14 S2'
_chemical_name_systematic
;
Tetrapotassium di-$-mue-oxo-bis(hydrogensulfatodioxoiodate)
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_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                 93.16(1)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   13.84(1)
_cell_length_b                   7.173(5)
_cell_length_c                   7.443(5)
_cell_volume                     737.8
_refine_ls_R_factor_all          0.03
_cod_database_code               1008184
Determination de la structure de La~2~ Ti O~5~ aux Rayons X et aux neutrons.
Guillen, M; Bertaut, E F; Neel, M L; Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, Serie C, Sciences Chimiques (1966-) 262 (1966) 962–965; doi:

data_1008185
_publ_section_title
;
Determination de la structure de La~2~ Ti O~5~ aux Rayons X et aux
neutrons.
;
_journal_coden_ASTM              CHDCAQ
_journal_name_full
;
Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences,
Serie C, Sciences Chimiques (1966-)
;
_journal_page_first              962
_journal_page_last               965
_journal_volume                  262
_journal_year                    1966
_chemical_formula_structural     'LA2 TI O5'
_chemical_formula_sum            'La2 O5 Ti'
_chemical_name_systematic        'DILANTHANUM TITANIUM 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                   10.97
_cell_length_b                   11.37
_cell_length_c                   3.93
_cell_volume                     490.2
_refine_ls_R_factor_all          0.058
_cod_database_code               1008185
_cod_duplicate_entry 1008155
Th I~3~, ein Janus unter den Verbindungen mit Metall-Metall- Wechselwirkungen
Beck, H P; Strobel, C; Angewandte Chemie (German Edition) 94 (1982) 558–559; doi:

data_1008186
_publ_section_title
;
Th I~3~, ein Janus unter den Verbindungen mit Metall-Metall-
Wechselwirkungen
;
_journal_coden_ASTM              ANCEAD
_journal_name_full               'Angewandte Chemie (German Edition)'
_journal_page_first              558
_journal_page_last               559
_journal_volume                  94
_journal_year                    1982
_chemical_formula_structural     'TH I3'
_chemical_formula_sum            'I3 Th'
_chemical_name_systematic        'THORIUM(III) IODIDE - $-beta'
_space_group_IT_number           66
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_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            16
_cell_length_a                   8.735(2)
_cell_length_b                   20.297(6)
_cell_length_c                   14.661(3)
_cell_volume                     2599.3
_cod_database_code               1008186
Synthese et structure du sulfate double M Sb F~2~ S O~4~ (M = Rb,Cs)
Fourcade, R; Bourgault, M; Bonnet, B; Ducourant, B; Journal of Solid State Chemistry 43 (1982) 81–86; doi:10.1016/0022-4596(82)90217-1

data_1008187
_publ_section_title
;
Synthese et structure du sulfate double M Sb F~2~ S O~4~ (M = Rb,Cs)
;
_journal_coden_ASTM              JSSCBI
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              81
_journal_page_last               86
_journal_paper_doi               10.1016/0022-4596(82)90217-1
_journal_volume                  43
_journal_year                    1982
_chemical_formula_structural     'RB SB F2 S O4'
_chemical_formula_sum            'F2 O4 Rb S Sb'
_chemical_name_systematic        'RUBIDIUM DIFLUOROANTIMONY SULFATE'
_space_group_IT_number           33
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      33
_symmetry_space_group_name_Hall  'P 2c -2n'
_symmetry_space_group_name_H-M   'P n a 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.601(2)
_cell_length_b                   11.510(2)
_cell_length_c                   5.202(1)
_cell_volume                     574.9
_exptl_crystal_density_meas      3.93
_refine_ls_R_factor_all          0.078
_cod_database_code               1008187
Etude cristallographique de nouveaux sulfures de terres rares et de cuivre (I)
Ballestracci, R; Bertaut, E F; Bulletin de la Societe Francaise de Mineralogie et de Cristallographie (72,1949-100,1977) 88 (1965) 575–579; doi:

data_1008188
_publ_section_title
;
Etude cristallographique de nouveaux sulfures de terres rares et de
cuivre (I)
;
_journal_coden_ASTM              BUFCAE
_journal_name_full
;
Bulletin de la Societe Francaise de Mineralogie et de Cristallographie
(72,1949-100,1977)
;
_journal_page_first              575
_journal_page_last               579
_journal_volume                  88
_journal_year                    1965
_chemical_formula_structural     'Er0.8889 Cu1.3333 S2'
_chemical_formula_sum            'Cu1.3333 Er0.8889 S2'
_chemical_name_systematic        'Erbium copper(I) sulfide (.9/1.3/2)'
_space_group_IT_number           147
_symmetry_cell_setting           trigonal
_symmetry_Int_Tables_number      147
_symmetry_space_group_name_Hall  '-P 3'
_symmetry_space_group_name_H-M   'P -3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   3.898
_cell_length_b                   3.898
_cell_length_c                   6.218
_cell_volume                     81.8
_refine_ls_R_factor_all          0.065
_cod_original_formula_sum        'Cu1.3333 Er.8889 S2'
_cod_database_code               1008188
Crystal and molecular structure of hydrogen peroxide: a neutron-diffraction study
Busing, William R.; Levy, Henri A.; Journal of Chemical Physics 42 (1965) 3054–3059; doi:10.1063/1.1696379

data_1008189
_publ_section_title
;
 Crystal and molecular structure of hydrogen peroxide: a neutron-diffraction
 study
;
_journal_coden_ASTM              JCPSA6
_journal_issue                   9
_journal_name_full               'Journal of Chemical Physics'
_journal_page_first              3054
_journal_page_last               3059
_journal_paper_doi               10.1063/1.1696379
_journal_volume                  42
_journal_year                    1965
_chemical_formula_structural     'H2 O2'
_chemical_formula_sum            'H2 O2'
_chemical_name_systematic        'Hydrogen peroxide'
_space_group_IT_number           92
_symmetry_cell_setting           tetragonal
_symmetry_Int_Tables_number      92
_symmetry_space_group_name_Hall  'P 4abw 2nw'
_symmetry_space_group_name_H-M   'P 41 21 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   4.06(2)
_cell_length_b                   4.06(2)
_cell_length_c                   8.00(2)
_cell_volume                     131.9
_cod_database_code               1008189
Neutron-diffraction study of lithium sulfate monohydrate
Smith, H G; Peterson, S W; Levy, H A; Journal of Chemical Physics 48 (1968) 5561–5565; doi:10.1063/1.1668257

data_1008190
_publ_section_title
;
Neutron-diffraction study of lithium sulfate monohydrate
;
_journal_coden_ASTM              JCPSA6
_journal_name_full               'Journal of Chemical Physics'
_journal_page_first              5561
_journal_page_last               5565
_journal_paper_doi               10.1063/1.1668257
_journal_volume                  48
_journal_year                    1968
_chemical_formula_structural     'Li2 S O4 H2 O'
_chemical_formula_sum            'H2 Li2 O5 S'
_chemical_name_systematic        'Lithium sulfate hydrate'
_space_group_IT_number           4
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      4
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_cell_angle_alpha                90
_cell_angle_beta                 107.367
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.4537
_cell_length_b                   4.857
_cell_length_c                   8.1734
_cell_volume                     206.6
_refine_ls_R_factor_all          0.061
_cod_database_code               1008190
Structure magnétique de β-FeNaO~2~ et affinement des positions atomique
Bertaut, E. F.; Delapalme, A.; Bassi, G.; Journal de Physique (Paris) 25 (1964) 545–549; doi:10.1051/jphys:01964002505054500

data_1008191
_publ_section_title
;
 Structure magn\'etique de \b-FeNaO~2~ et affinement des positions atomique
;
_journal_coden_ASTM              JOPQAG
_journal_issue                   5
_journal_name_full               'Journal de Physique (Paris)'
_journal_page_first              545
_journal_page_last               549
_journal_paper_doi               10.1051/jphys:01964002505054500
_journal_volume                  25
_journal_year                    1964
_chemical_formula_structural     'Na Fe O2'
_chemical_formula_sum            'Fe Na O2'
_chemical_name_systematic        'Sodium dioxoferrate(III) - \b'
_space_group_IT_number           33
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      33
_symmetry_space_group_name_Hall  'P 2c -2n'
_symmetry_space_group_name_H-M   'P n a 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.672
_cell_length_b                   7.136
_cell_length_c                   5.377
_cell_volume                     217.6
_refine_ls_R_factor_all          0.06
_cod_database_code               1008191
Synthetis and crystal structure of (Th Cu~3~) ((Mn~2~)^3+^ (Mn~2~)^4+^) O~12~, a new ferrimagnetic Perovskite-like compound
Deschizeaux, M N; Loubert, J C; Vegas, A; Collomb, A; Chenavas, J; Marezio, M; Journal of Solid State Chemistry 19 (1976) 45–51; doi:10.1016/0022-4596(76)90148-1

data_1008192
_publ_section_title
;
Synthetis and crystal structure of (Th Cu~3~) ((Mn~2~)^3+^ (Mn~2~)^4+^)
O~12~, a new ferrimagnetic Perovskite-like compound
;
_journal_coden_ASTM              JSSCBI
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              45
_journal_page_last               51
_journal_paper_doi               10.1016/0022-4596(76)90148-1
_journal_volume                  19
_journal_year                    1976
_chemical_formula_structural     '(Th Cu3) (Mn2 Mn2) O12'
_chemical_formula_sum            'Cu3 Mn4 O12 Th'
_chemical_name_systematic
;
Thorium tricopper dimanganese(III) dimanganese(IV) oxide
;
_space_group_IT_number           204
_symmetry_cell_setting           cubic
_symmetry_Int_Tables_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                   7.359(1)
_cell_length_b                   7.359(1)
_cell_length_c                   7.359(1)
_cell_volume                     398.5
_refine_ls_R_factor_all          0.011
_cod_database_code               1008192