LMucko/crystallography-open-database huggingface dataset:
X-ray powder structure determination of Li~6~P~6~O~18~ · 3H~2~O
Toumi, M.; Hlel, F.; Ben Chaabane, T.; Smiri, L.; Laligant, Y.; Emery, J.; European Journal of Solid State and Inorganic Chemistry 35 (1998) 689–697; doi:10.1016/S0992-4361(99)80009-5

data_1000489
_publ_section_title
;
 X-ray powder structure determination of Li~6~P~6~O~18~ &#x00B7; 3H~2~O
;
_journal_coden_ASTM              EJSCE5
_journal_issue                   10-11
_journal_name_full
;
 European Journal of Solid State and Inorganic Chemistry
;
_journal_page_first              689
_journal_page_last               697
_journal_paper_doi               10.1016/S0992-4361(99)80009-5
_journal_volume                  35
_journal_year                    1998
_chemical_formula_structural     'Li6 (P6 O18) (H2 O)3'
_chemical_formula_sum            'H6 Li6 O21 P6'
_chemical_name_systematic        'Hexalithium cyclo-hexaphosphate trihydrate'
_space_group_IT_number           166
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_Hall  '-R 3 2"'
_symmetry_space_group_name_H-M   'R -3 m :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            6
_cell_length_a                   15.7442(2)
_cell_length_b                   15.7442(2)
_cell_length_c                   12.5486(2)
_cell_volume                     2693.8
_refine_ls_R_factor_all          0.09
_cod_original_sg_symbol_H-M      'R -3 m H'
_cod_database_code               1000489
Ordered magnetic frustration: XVI.Magnetic structure of Cs Co F4 at 1.5 K
Lacorre, P; Pannetier, J; Fleischer, T; Hoppe, R; Ferey, G; Journal of Solid State Chemistry 93 (1991) 37–45; doi:10.1016/0022-4596(91)90271-I

data_1000490
_publ_section_title
;
Ordered magnetic frustration: XVI.Magnetic structure of Cs Co F4 at 1.5
K
;
_journal_coden_ASTM              JSSCBI
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              37
_journal_page_last               45
_journal_paper_doi               10.1016/0022-4596(91)90271-I
_journal_volume                  93
_journal_year                    1991
_chemical_formula_structural     'Cs (Co F4)'
_chemical_formula_sum            'Co Cs F4'
_chemical_name_systematic        'Caesium tetrafluorocobaltate'
_space_group_IT_number           120
_symmetry_cell_setting           tetragonal
_symmetry_Int_Tables_number      120
_symmetry_space_group_name_Hall  'I -4 -2c'
_symmetry_space_group_name_H-M   'I -4 c 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            20
_cell_length_a                   12.4476(6)
_cell_length_b                   12.4476(6)
_cell_length_c                   12.9277(7)
_cell_volume                     2003.1
_refine_ls_R_factor_all          0.114
_cod_database_code               1000490
Ordered magnetic frustration: XVI.Magnetic structure of Cs Co F4 at 1.5 K
Lacorre, P; Pannetier, J; Fleischer, T; Hoppe, R; Ferey, G; Journal of Solid State Chemistry 93 (1991) 37–45; doi:10.1016/0022-4596(91)90271-I

data_1000491
_publ_section_title
;
Ordered magnetic frustration: XVI.Magnetic structure of Cs Co F4 at 1.5
K
;
_journal_coden_ASTM              JSSCBI
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              37
_journal_page_last               45
_journal_paper_doi               10.1016/0022-4596(91)90271-I
_journal_volume                  93
_journal_year                    1991
_chemical_formula_structural     'Cs (Co F4)'
_chemical_formula_sum            'Co Cs F4'
_chemical_name_systematic        'Caesium tetrafluorocobaltate'
_space_group_IT_number           120
_symmetry_cell_setting           tetragonal
_symmetry_Int_Tables_number      120
_symmetry_space_group_name_Hall  'I -4 -2c'
_symmetry_space_group_name_H-M   'I -4 c 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            20
_cell_length_a                   12.4353(4)
_cell_length_b                   12.4353(4)
_cell_length_c                   12.8612(5)
_cell_volume                     1988.8
_refine_ls_R_factor_all          0.094
_cod_database_code               1000491
Structure cristalline de Cs2 Na Al3 F12
Courbion, G; Jacoboni, C; de Pape, R; Acta Crystallographica B (24,1968-38,1982) 32 (1976) 3190–3193; doi:10.1107/S0567740876009928

data_1000492
_publ_section_title              'Structure cristalline de Cs2 Na Al3 F12'
_journal_coden_ASTM              ACBCAR
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              3190
_journal_page_last               3193
_journal_paper_doi               10.1107/S0567740876009928
_journal_volume                  32
_journal_year                    1976
_chemical_formula_structural     'Cs2 Na (Al3 F12)'
_chemical_formula_sum            'Al3 Cs2 F12 Na'
_chemical_name_systematic
;
Dicaesium sodium phyllo-tetrafluoroaluminate
;
_space_group_IT_number           166
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_Hall  '-P 3* 2'
_symmetry_space_group_name_H-M   'R -3 m :R'
_cell_angle_alpha                57.45(1)
_cell_angle_beta                 57.45(1)
_cell_angle_gamma                57.45(1)
_cell_formula_units_Z            1
_cell_length_a                   7.310(3)
_cell_length_b                   7.310(3)
_cell_length_c                   7.310(3)
_cell_volume                     260.0
_exptl_crystal_density_meas      3.7(10)
_refine_ls_R_factor_all          0.028
_cod_original_sg_symbol_H-M      'R -3 m R'
_cod_database_code               1000492
Les pyrochlores A B2 X6. Mise en evidence de l'occupation par le cation A de nouvelles positions cristallographiques dans le groupe d'espace FD3M
Fourquet, J L; Jacoboni, C; de Pape, R; Materials Research Bulletin 8 (1973) 393–404; doi:10.1016/0025-5408(73)90043-3

data_1000493
_publ_section_title
;
Les pyrochlores A B2 X6. Mise en evidence de l'occupation par le cation
A de nouvelles positions cristallographiques dans le groupe d'espace
FD3M
;
_journal_coden_ASTM              MRBUAC
_journal_name_full               'Materials Research Bulletin'
_journal_page_first              393
_journal_page_last               404
_journal_paper_doi               10.1016/0025-5408(73)90043-3
_journal_volume                  8
_journal_year                    1973
_chemical_formula_structural     'Rb Nb2 O5 F'
_chemical_formula_sum            'F Nb2 O5 Rb'
_chemical_name_systematic        'Rubidium diniobium pentaoxide fluoride'
_space_group_IT_number           227
_symmetry_cell_setting           cubic
_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                   10.492(5)
_cell_length_b                   10.492(5)
_cell_length_c                   10.492(5)
_cell_volume                     1155.0
_refine_ls_R_factor_all          0.11
_cod_original_sg_symbol_H-M      'F d -3 m Z'
_cod_database_code               1000493
Les Pyrochlores A B2 X6. Mise en evidence de l'occupation par le cation A de nouvelles positions cristallographiques dans les groupe d'espace FD3M
Fourquet, J L; Jacoboni, C; de Pape, R; Materials Research Bulletin 8 (1973) 393–404; doi:10.1016/0025-5408(73)90043-3

data_1000494
_publ_section_title
;
Les Pyrochlores A B2 X6. Mise en evidence de l'occupation par le cation
A de nouvelles positions cristallographiques dans les groupe d'espace
FD3M
;
_journal_coden_ASTM              MRBUAC
_journal_name_full               'Materials Research Bulletin'
_journal_page_first              393
_journal_page_last               404
_journal_paper_doi               10.1016/0025-5408(73)90043-3
_journal_volume                  8
_journal_year                    1973
_chemical_formula_structural     'Tl Nb2 O5 F'
_chemical_formula_sum            'F Nb2 O5 Tl'
_chemical_name_systematic        'Thallium diniobium pentaoxide fluoride'
_space_group_IT_number           227
_symmetry_cell_setting           cubic
_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                   10.506(5)
_cell_length_b                   10.506(5)
_cell_length_c                   10.506(5)
_cell_volume                     1159.6
_refine_ls_R_factor_all          0.11
_cod_original_sg_symbol_H-M      'F d -3 m Z'
_cod_database_code               1000494
Les pyrochlores A B2 X6. Mise en evidence de l'occupation par le cation A de nouvelles positions cristallographiques dans le groupe d'espace FD3M
Fourquet, J L; Jacoboni, C; de Pape, R; Materials Research Bulletin 8 (1973) 393–404; doi:10.1016/0025-5408(73)90043-3

data_1000495
_publ_section_title
;
Les pyrochlores A B2 X6. Mise en evidence de l'occupation par le cation
A de nouvelles positions cristallographiques dans le groupe d'espace
FD3M
;
_journal_coden_ASTM              MRBUAC
_journal_name_full               'Materials Research Bulletin'
_journal_page_first              393
_journal_page_last               404
_journal_paper_doi               10.1016/0025-5408(73)90043-3
_journal_volume                  8
_journal_year                    1973
_chemical_formula_structural     'Cs Nb2 O5 F'
_chemical_formula_sum            'Cs F Nb2 O5'
_chemical_name_systematic        'Caesium diniobium pentaoxide fluoride'
_space_group_IT_number           227
_symmetry_cell_setting           cubic
_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                   10.525(5)
_cell_length_b                   10.525(5)
_cell_length_c                   10.525(5)
_cell_volume                     1165.9
_refine_ls_R_factor_all          0.06
_cod_original_sg_symbol_H-M      'F d -3 m Z'
_cod_database_code               1000495
Etude de la filiation structurale des phases M(I) Al F4 (M(I) = K, Rb, Tl, N H4, Cs)
Fourquet, J L; Plet, F; Courbion, G; Bulou, A; de Pape, R; Revue de Chimie Minerale 16 (1979) 490–500; doi:

data_1000496
_publ_section_title
;
Etude de la filiation structurale des phases M(I) Al F4 (M(I) = K, Rb,
Tl, N H4, Cs)
;
_journal_coden_ASTM              RVCMA8
_journal_name_full               'Revue de Chimie Minerale'
_journal_page_first              490
_journal_page_last               500
_journal_volume                  16
_journal_year                    1979
_chemical_formula_structural     'Rb (Al F4)'
_chemical_formula_sum            'Al F4 Rb'
_chemical_name_systematic        'Rubidium tetrafluoroluminate'
_space_group_IT_number           127
_symmetry_cell_setting           tetragonal
_symmetry_Int_Tables_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                   5.125(2)
_cell_length_b                   5.125(2)
_cell_length_c                   6.283(2)
_cell_volume                     165.0
_exptl_crystal_density_meas      3.8(1)
_refine_ls_R_factor_all          0.071
_cod_database_code               1000496
Structure cristalline de Ba2 Zn7 F18
Renaudin, J; Ferey, G; de Kozak, A; Samouel, M; Revue de Chimie Minerale 23 (1986) 497–507; doi:

data_1000497
_publ_section_title              'Structure cristalline de Ba2 Zn7 F18'
_journal_coden_ASTM              RVCMA8
_journal_name_full               'Revue de Chimie Minerale'
_journal_page_first              497
_journal_page_last               507
_journal_volume                  23
_journal_year                    1986
_chemical_formula_structural     'Ba2 Zn7 F18'
_chemical_formula_sum            'Ba2 F18 Zn7'
_chemical_name_systematic        'Barium zinc fluoride (2/7/18)'
_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                94.24(2)
_cell_angle_beta                 92.82(2)
_cell_angle_gamma                116.39(2)
_cell_formula_units_Z            1
_cell_length_a                   7.032(2)
_cell_length_b                   7.292(2)
_cell_length_c                   7.505(2)
_cell_volume                     342.3
_exptl_crystal_density_meas      5.17
_refine_ls_R_factor_all          0.066
_cod_database_code               1000497
Ordered magnetic frustration: XVII. Is Ba Mn Fe F7 frustrated? Mossbauer spectrocopy, magnetic susceptibility, and magnetic structure at 2 K
Lacorre, P; Pannetier, J; Pebler, J; Nagel, J; Babel, D; de Kozak, A; Samouel, M; Ferey, G; Journal of Solid State Chemistry 101 (1992) 296–308; doi:10.1016/0022-4596(92)90185-X

data_1000498
_publ_section_title
;
Ordered magnetic frustration: XVII. Is Ba Mn Fe F7 frustrated?
Mossbauer spectrocopy, magnetic susceptibility, and magnetic structure
at 2 K
;
_journal_coden_ASTM              JSSCBI
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              296
_journal_page_last               308
_journal_paper_doi               10.1016/0022-4596(92)90185-X
_journal_volume                  101
_journal_year                    1992
_chemical_formula_structural     'Ba Mn Fe F7'
_chemical_formula_sum            'Ba F7 Fe Mn'
_chemical_name_systematic        'Barium manganese iron fluoride (1/1/1/7)'
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_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                 94.568(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.5075(1)
_cell_length_b                   10.9584(2)
_cell_length_c                   9.1427(2)
_cell_volume                     550.0
_refine_ls_R_factor_all          0.085
_cod_database_code               1000498
Les pyrochlores A B2 X6. Mise en evidence de l'occupation par le cation A de nouvelles positions cristallographiques dans le groupe d'espace FD3M
Fourquet, J L; Jacoboni, C; de Pape, R; Materials Research Bulletin 8 (1973) 393–404; doi:10.1016/0025-5408(73)90043-3

data_1000499
_publ_section_title
;
Les pyrochlores A B2 X6. Mise en evidence de l'occupation par le cation
A de nouvelles positions cristallographiques dans le groupe d'espace
FD3M
;
_journal_coden_ASTM              MRBUAC
_journal_name_full               'Materials Research Bulletin'
_journal_page_first              393
_journal_page_last               404
_journal_paper_doi               10.1016/0025-5408(73)90043-3
_journal_volume                  8
_journal_year                    1973
_chemical_formula_structural     'Rb Co (Cr F6)'
_chemical_formula_sum            'Co Cr F6 Rb'
_chemical_name_systematic        'Rubidium cobalt hexafluorochromate(III)'
_space_group_IT_number           227
_symmetry_cell_setting           cubic
_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                   10.277(5)
_cell_length_b                   10.277(5)
_cell_length_c                   10.277(5)
_cell_volume                     1085.4
_refine_ls_R_factor_all          0.11
_cod_original_sg_symbol_H-M      'F d -3 m Z'
_cod_database_code               1000499
Ab initio determination of the novel perovskite-related structure of La7 Mo7 O30 from powder diffraction
Goutenoire, F; Retoux, R; Suard, E; Lacorre, P; Journal of Solid State Chemistry 142 (1999) 228–235; doi:10.1006/jssc.1998.8070

data_1000500
_publ_section_title
;
Ab initio determination of the novel perovskite-related structure of
La7 Mo7 O30 from powder diffraction
;
_journal_coden_ASTM              JSSCBI
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              228
_journal_page_last               235
_journal_paper_doi               10.1006/jssc.1998.8070
_journal_volume                  142
_journal_year                    1999
_chemical_formula_structural     'La7 Mo7 O30'
_chemical_formula_sum            'La7 Mo7 O30'
_chemical_name_systematic        'Lanthanum molybdenum oxide (7/7/30)'
_space_group_IT_number           148
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_Hall  '-R 3'
_symmetry_space_group_name_H-M   'R -3 :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   17.0051(2)
_cell_length_b                   17.0051(2)
_cell_length_c                   6.8607(1)
_cell_volume                     1718.1
_refine_ls_R_factor_all          0.0418
_cod_original_sg_symbol_H-M      'R -3 H'
_cod_database_code               1000500
Ab initio determination of the novel perovskite-related structure of La7 Mo7 O30 from powder diffraction
Goutenoire, F; Retoux, R; Suard, E; Lacorre, P; Journal of Solid State Chemistry 142 (1999) 228–235; doi:10.1006/jssc.1998.8070

data_1000501
_publ_section_title
;
Ab initio determination of the novel perovskite-related structure of
La7 Mo7 O30 from powder diffraction
;
_journal_coden_ASTM              JSSCBI
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              228
_journal_page_last               235
_journal_paper_doi               10.1006/jssc.1998.8070
_journal_volume                  142
_journal_year                    1999
_chemical_formula_structural     'La7 Mo7 O30'
_chemical_formula_sum            'La7 Mo7 O30'
_chemical_name_systematic        'Lanthanum molybdenum oxide (7/7/30)'
_space_group_IT_number           148
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_Hall  '-R 3'
_symmetry_space_group_name_H-M   'R -3 :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   17.00639(20)
_cell_length_b                   17.00639(20)
_cell_length_c                   6.8613(1)
_cell_volume                     1718.5
_refine_ls_R_factor_all          0.0515
_cod_original_sg_symbol_H-M      'R -3 H'
_cod_database_code               1000501
Crystal structure of sodium rare earth oxyborates Na2 Ln2 (B O3)2 O(Ln = Sm, Eu, and Gd) and optical analysis of Na2 Gd2 (B O3)2 O:Eu(3+)
Corbel, G; Leblanc, M; Antic-Fidancev, E; Lemaitre-Blaise, M; Journal of Solid State Chemistry 144 (1999) 35–44; doi:10.1006/jssc.1998.8107

data_1000502
_publ_section_title
;
Crystal structure of sodium rare earth oxyborates Na2 Ln2 (B O3)2 O(Ln
= Sm, Eu, and Gd) and optical analysis of Na2 Gd2 (B O3)2 O:Eu(3+)
;
_journal_coden_ASTM              JSSCBI
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              35
_journal_page_last               44
_journal_paper_doi               10.1006/jssc.1998.8107
_journal_volume                  144
_journal_year                    1999
_chemical_formula_structural     'Na2 Gd2 O (B O3)2'
_chemical_formula_sum            'B2 Gd2 Na2 O7'
_chemical_name_systematic        'Sodium gadolinium oxide bis(borate)'
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_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                 117.80(4)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.695(6)
_cell_length_b                   6.320(4)
_cell_length_c                   10.328(6)
_cell_volume                     617.5
_refine_ls_R_factor_all          0.039
_cod_database_code               1000502
Irreversible electron-induced structural change during HREM imaging in lithium Ruddlesden-Popper phases in the series Li2 La(x) (Nb(2n-3x) Ti(3x-n) O(3n-1)) (n = 2,3,4) and Li2 Sr1.5 (Nb(3-x) Fe(x)) O(10-x)
Crosnier-Lopez, M P; Bhuvanesh, N S P; Duroy, H; Fourquet, J L; Journal of Solid State Chemistry 145 (1999) 136–149; doi:10.1006/jssc.1999.8232

data_1000503
_publ_section_title
;
Irreversible electron-induced structural change during HREM imaging in
lithium Ruddlesden-Popper phases in the series Li2 La(x) (Nb(2n-3x)
Ti(3x-n) O(3n-1)) (n = 2,3,4) and Li2 Sr1.5 (Nb(3-x) Fe(x)) O(10-x)
;
_journal_coden_ASTM              JSSCBI
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              136
_journal_page_last               149
_journal_paper_doi               10.1006/jssc.1999.8232
_journal_volume                  145
_journal_year                    1999
_chemical_formula_structural     'Li2 La2.25 (Nb1.25 Ti2.75) O13'
_chemical_formula_sum            'La2.25 Li2 Nb1.25 O13 Ti2.75'
_chemical_name_systematic        'Lithium lanthanum niobium titanium oxide'
_space_group_IT_number           139
_symmetry_cell_setting           tetragonal
_symmetry_Int_Tables_number      139
_symmetry_space_group_name_Hall  '-I 4 2'
_symmetry_space_group_name_H-M   'I 4/m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   3.88
_cell_length_b                   3.88
_cell_length_c                   32.39999
_cell_volume                     487.8
_cod_database_code               1000503
The crystal structure of Na2 Mg Gd2 (Si4 O12) F2 and its relationship with leucophanite
Maisonneuve, V; Leblanc, M; Canadian Mineralogist 36 (1998) 1039–1043; doi:

data_1000504
_publ_section_title
;
The crystal structure of Na2 Mg Gd2 (Si4 O12) F2 and its relationship
with leucophanite
;
_journal_coden_ASTM              CAMIA6
_journal_name_full               'Canadian Mineralogist'
_journal_page_first              1039
_journal_page_last               1043
_journal_volume                  36
_journal_year                    1998
_chemical_formula_structural     'Na2 Mg Gd2 (Si4 O12) F2'
_chemical_formula_sum            'F2 Gd2 Mg Na2 O12 Si4'
_chemical_name_systematic
;
Disodium magnesium digadolinium catena-tetrasilicate difluoride
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_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                 90.22(2)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.178(3)
_cell_length_b                   7.510(2)
_cell_length_c                   14.381(4)
_cell_volume                     559.2
_refine_ls_R_factor_all          0.039
_cod_database_code               1000504