LMucko/crystallography-open-database huggingface dataset:
Localization of hydrogen (deuterium) in α-LaNi~5~H~x~ (x = 0.1 and 0.4)
Soubeyroux, J. L.; Percheron-Guegan, A.; Achard, J. C.; Journal of the Less-Common Metals 129 (1987) 181–186; doi:10.1016/0022-5088(87)90046-4

data_1008361
_publ_section_title
;
 Localization of hydrogen (deuterium) in \a-LaNi~5~H~x~ (x = 0.1 and 0.4)
;
_journal_coden_ASTM              JCOMAH
_journal_name_full               'Journal of the Less-Common Metals'
_journal_page_first              181
_journal_page_last               186
_journal_paper_doi               10.1016/0022-5088(87)90046-4
_journal_volume                  129
_journal_year                    1987
_chemical_formula_structural     'La Ni5 D.1'
_chemical_formula_sum            'D0.1 La Ni5'
_chemical_name_systematic
;
Lanthanum nickel deuteride (1/5/.1) - \a phase
;
_space_group_IT_number           191
_symmetry_cell_setting           hexagonal
_symmetry_Int_Tables_number      191
_symmetry_space_group_name_Hall  '-P 6 2'
_symmetry_space_group_name_H-M   'P 6/m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   5.022(2)
_cell_length_b                   5.022(2)
_cell_length_c                   3.978(1)
_cell_volume                     86.9
_refine_ls_R_factor_all          0.095
_cod_original_formula_sum        'D.1 La Ni5'
_cod_database_code               1008361
Localization of hydrogen (deuterium) in α-LaNi~5~H~x~ (x = 0.1 and 0.4)
Soubeyroux, J. L.; Percheron-Guegan, A.; Achard, J. C.; Journal of the Less-Common Metals 129 (1987) 181–186; doi:10.1016/0022-5088(87)90046-4

data_1008362
_publ_section_title
;
 Localization of hydrogen (deuterium) in \a-LaNi~5~H~x~ (x = 0.1 and 0.4)
;
_journal_coden_ASTM              JCOMAH
_journal_name_full               'Journal of the Less-Common Metals'
_journal_page_first              181
_journal_page_last               186
_journal_paper_doi               10.1016/0022-5088(87)90046-4
_journal_volume                  129
_journal_year                    1987
_chemical_formula_structural     'La Ni5 D.4'
_chemical_formula_sum            'D0.4 La Ni5'
_chemical_name_systematic
;
Lanthanum nickel deuteride (1/5/.4) - \a phase
;
_space_group_IT_number           191
_symmetry_cell_setting           hexagonal
_symmetry_Int_Tables_number      191
_symmetry_space_group_name_Hall  '-P 6 2'
_symmetry_space_group_name_H-M   'P 6/m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   5.025(3)
_cell_length_b                   5.025(3)
_cell_length_c                   3.991(2)
_cell_volume                     87.3
_refine_ls_R_factor_all          0.086
_cod_original_formula_sum        'D.4 La Ni5'
_cod_database_code               1008362
Localization of hydrogen (deuterium) in Hf~2~ Fe D~x~
Soubeyroux, J L; Fruchart, D; Derdour, S; Vuillet, P; Rouault, A; Journal of the Less-Common Metals 129 (1987) 187–195; doi:10.1016/0022-5088(87)90047-6

data_1008363
_publ_section_title
;
Localization of hydrogen (deuterium) in Hf~2~ Fe D~x~
;
_journal_coden_ASTM              JCOMAH
_journal_name_full               'Journal of the Less-Common Metals'
_journal_page_first              187
_journal_page_last               195
_journal_paper_doi               10.1016/0022-5088(87)90047-6
_journal_volume                  129
_journal_year                    1987
_chemical_formula_structural     'Hf2 Fe D2.8'
_chemical_formula_sum            'D2.8 Fe Hf2'
_chemical_name_systematic        'Hafnium iron deuteride (2/1/3)'
_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            32
_cell_length_a                   12.5740(13)
_cell_length_b                   12.5740(13)
_cell_length_c                   12.5740(13)
_cell_volume                     1988.0
_refine_ls_R_factor_all          0.113
_cod_original_sg_symbol_H-M      'F d -3 m Z'
_cod_database_code               1008363
Crystal structure of strontium hexaferrite Sr Fe~12~ O~19~
Obradors, X; Solans, X; Collomb, A; Samaras, D; Rodriguez, J; Pernet, M; Font-Altaba, M; Journal of Solid State Chemistry 72 (1988) 218–224; doi:10.1016/0022-4596(88)90025-4

data_1008364
_publ_section_title
;
Crystal structure of strontium hexaferrite Sr Fe~12~ O~19~
;
_journal_coden_ASTM              JSSCBI
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              218
_journal_page_last               224
_journal_paper_doi               10.1016/0022-4596(88)90025-4
_journal_volume                  72
_journal_year                    1988
_chemical_formula_structural     'Sr Fe12 O19'
_chemical_formula_sum            'Fe12 O19 Sr'
_chemical_name_systematic        'Strontium dodecairon(III) oxide'
_space_group_IT_number           194
_symmetry_cell_setting           hexagonal
_symmetry_Int_Tables_number      194
_symmetry_space_group_name_Hall  '-P 6c 2c'
_symmetry_space_group_name_H-M   'P 63/m m c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   5.8844(6)
_cell_length_b                   5.8844(6)
_cell_length_c                   23.050(3)
_cell_volume                     691.2
_refine_ls_R_factor_all          0.022
_cod_duplicate_entry             1006000
_cod_database_code               1008364
Structural Study of Na Nd Ga~4~ S~8~, a Luminescent Material with Low- Concentration Quenching
Ibanez, R; Gravereau, P; Garcia, A; Fouassier, C; Journal of Solid State Chemistry 73 (1988) 252–258; doi:10.1016/0022-4596(88)90076-X

data_1008365
_publ_section_title
;
Structural Study of Na Nd Ga~4~ S~8~, a Luminescent Material with Low-
Concentration Quenching
;
_journal_coden_ASTM              JSSCBI
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              252
_journal_page_last               258
_journal_paper_doi               10.1016/0022-4596(88)90076-X
_journal_volume                  73
_journal_year                    1988
_chemical_formula_structural     'Na Nd Ga4 S8'
_chemical_formula_sum            'Ga4 Na Nd S8'
_chemical_name_systematic        'Sodium neodymium tetragadolinium sulfide'
_space_group_IT_number           70
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-F 2uv 2vw'
_symmetry_space_group_name_H-M   'F d d d :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            16
_cell_length_a                   20.122(2)
_cell_length_b                   20.143(2)
_cell_length_c                   12.142(1)
_cell_volume                     4921.4
_refine_ls_R_factor_all          0.064
_cod_original_sg_symbol_H-M      'F d d d Z'
_cod_database_code               1008365
Neutron powder diffraction study of solid solution Li~1+x~ Ti~2-x~ In~x~ P~3~ O~12~
Tran, Qui D; Hamdoune, S; Soubeyroux, J L; Prince, E; Journal of Solid State Chemistry 72 (1988) 309–315; doi:10.1016/0022-4596(88)90034-5

data_1008366
_publ_section_title
;
Neutron powder diffraction study of solid solution Li~1+x~ Ti~2-x~
In~x~ P~3~ O~12~
;
_journal_coden_ASTM              JSSCBI
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              309
_journal_page_last               315
_journal_paper_doi               10.1016/0022-4596(88)90034-5
_journal_volume                  72
_journal_year                    1988
_chemical_formula_structural     'Li1.12 Ti1.88 In.12 (P O4)3'
_chemical_formula_sum            'In0.12 Li1.12 O12 P3 Ti1.88'
_chemical_name_systematic
;
Lithium titanium indium phosphate (1.12/1.88/.12/3)
;
_space_group_IT_number           167
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_Hall  '-R 3 2"c'
_symmetry_space_group_name_H-M   'R -3 c :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            6
_cell_length_a                   8.5476(2)
_cell_length_b                   8.5476(2)
_cell_length_c                   20.9512(7)
_cell_volume                     1325.6
_refine_ls_R_factor_all          0.0302
_cod_original_sg_symbol_H-M      'R -3 c H'
_cod_original_formula_sum        'In.12 Li1.12 O12 P3 Ti1.88'
_cod_database_code               1008366
Neutron Powder Diffraction Study of Solid Solution Li~1+x~ Ti~2-x~ In~x~ P~3~ O~12~
Tran Qui, D; Hamdoune, S; Soubeyroux, J L; Prince, E; Journal of Solid State Chemistry 72 (1988) 309–315; doi:10.1016/0022-4596(88)90034-5

data_1008367
_publ_section_title
;
Neutron Powder Diffraction Study of Solid Solution Li~1+x~ Ti~2-x~
In~x~ P~3~ O~12~
;
_journal_coden_ASTM              JSSCBI
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              309
_journal_page_last               315
_journal_paper_doi               10.1016/0022-4596(88)90034-5
_journal_volume                  72
_journal_year                    1988
_chemical_formula_structural     'Li1.15 Ti1.85 In.15 (P O4)3'
_chemical_formula_sum            'In0.15 Li1.15 O12 P3 Ti1.85'
_chemical_name_systematic
;
Lithium titanium indium phosphate (1.15/1.85/.15/3)
;
_space_group_IT_number           167
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_Hall  '-R 3 2"c'
_symmetry_space_group_name_H-M   'R -3 c :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            6
_cell_length_a                   8.5604(2)
_cell_length_b                   8.5604(2)
_cell_length_c                   21.0219(10)
_cell_volume                     1334.1
_refine_ls_R_factor_all          0.0515
_cod_original_sg_symbol_H-M      'R -3 c H'
_cod_original_formula_sum        'In.15 Li1.15 O12 P3 Ti1.85'
_cod_database_code               1008367
Structure of a new adduct between telluric acid and a condensed phosphate: (Cs~3~ P~3~ O~9~) (Te (O H)~6~ (H~2~ O)).
Averbuch-Pouchot, M T; Acta Crystallographica C (39,1983-) 44 (1988) 1166–1168; doi:

data_1008368
_publ_section_title
;
Structure of a new adduct between telluric acid and a condensed
phosphate: (Cs~3~ P~3~ O~9~) (Te (O H)~6~ (H~2~ O)).
;
_journal_coden_ASTM              ACSCEE
_journal_name_full               'Acta Crystallographica C (39,1983-)'
_journal_page_first              1166
_journal_page_last               1168
_journal_volume                  44
_journal_year                    1988
_chemical_formula_structural     'Cs3 (P3 O9) (Te (O H)6 (H2 O))'
_chemical_formula_sum            'Cs3 H8 O16 P3 Te'
_chemical_name_systematic
;
Tricaesium cyclo-triphosphate telluric acid hydrate
;
_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                 90.42(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.279(2)
_cell_length_b                   13.984(8)
_cell_length_c                   17.071(4)
_cell_volume                     1737.6
_refine_ls_R_factor_all          0.024
_cod_original_formula_sum        'H8 Cs3 O16 P3 Te'
_cod_database_code               1008368
Structure Determination of the new high-temperature Superconductor Y Ba Cu O (2/4/7/14.30)
Bordet, P; Chaillout, C; Chenavas, J; Hodeau, J L; Marezio, M; Karpinski, J; Kaldis, E; Nature (London) 334 (1988) 596–598; doi:10.1038/334596a0

data_1008369
_publ_section_title
;
Structure Determination of the new high-temperature Superconductor Y Ba
Cu O (2/4/7/14.30)
;
_journal_coden_ASTM              NATUAS
_journal_name_full               'Nature (London)'
_journal_page_first              596
_journal_page_last               598
_journal_paper_doi               10.1038/334596a0
_journal_volume                  334
_journal_year                    1988
_chemical_formula_structural     'Y2 Ba4 Cu7 O14.30'
_chemical_formula_sum            'Ba4 Cu7 O14.3 Y2'
_chemical_name_systematic        'Diyttrium tetrabarium heptacuprate'
_space_group_IT_number           65
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      65
_symmetry_space_group_name_Hall  '-A 2 2'
_symmetry_space_group_name_H-M   'A m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   3.851(1)
_cell_length_b                   3.869(1)
_cell_length_c                   50.29(2)
_cell_volume                     749.3
_refine_ls_R_factor_all          0.054
_cod_database_code               1008369
Structure of an ammonium molybdenyl diphosphate (N H~4~)~2~ Mo O~2~ P~2~ O~7~
Averbuch-Pouchot, M T; Acta Crystallographica C (39,1983-) 44 (1988) 2046–2048; doi:

data_1008370
_publ_section_title
;
Structure of an ammonium molybdenyl diphosphate (N H~4~)~2~ Mo O~2~
P~2~ O~7~
;
_journal_coden_ASTM              ACSCEE
_journal_name_full               'Acta Crystallographica C (39,1983-)'
_journal_page_first              2046
_journal_page_last               2048
_journal_volume                  44
_journal_year                    1988
_chemical_formula_structural     '(N H4)2 (Mo O2) (P2 O7)'
_chemical_formula_sum            'H8 Mo N2 O9 P2'
_chemical_name_systematic        'Bis(ammonium) molybdenyl diphosphate'
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_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                 99.11(1)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   13.984(9)
_cell_length_b                   8.297(6)
_cell_length_c                   15.81(1)
_cell_volume                     1811.2
_refine_ls_R_factor_all          0.021
_cod_database_code               1008370
Crystal data and crystal structure of bismuth tetraphosphate Bi~2~ P~4~ O~13~
Bagieu-Beucher, M; Averbuch-Pouchot, M-T; Zeitschrift fuer Kristallographie (149,1979-) 180 (1987) 165–170; doi:

data_1008371
_publ_section_title
;
Crystal data and crystal structure of bismuth tetraphosphate Bi~2~ P~4~
O~13~
;
_journal_coden_ASTM              ZEKRDZ
_journal_name_full
;
Zeitschrift fuer Kristallographie (149,1979-)
;
_journal_page_first              165
_journal_page_last               170
_journal_volume                  180
_journal_year                    1987
_chemical_formula_structural     'Bi2 P4 O13'
_chemical_formula_sum            'Bi2 O13 P4'
_chemical_name_systematic        'Dibismuth tetraphosphate'
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_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                 106.50(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.977(4)
_cell_length_b                   6.878(2)
_cell_length_c                   13.285(4)
_cell_volume                     1049.3
_refine_ls_R_factor_all          0.05
_cod_database_code               1008371
Ordered Pd^2+^ - Cu^2+^ Substitution on 1.2.3 Superconductor: The Oxide Y Ba~2~ Cu~(3-x)~ Pd~x~ O~y~ (x=0.5) with Pd~2+~ in Square Planar Coordination
Ferey, G; Le, Bail A; Laligant, Y; Hervieu, M; Raveau, B; Sulpice, A; Tournier, R; Journal of Solid State Chemistry 73 (1988) 610–614; doi:10.1016/0022-4596(88)90157-0

data_1008372
_publ_section_title
;
Ordered Pd^2+^ - Cu^2+^ Substitution on 1.2.3 Superconductor: The Oxide
Y Ba~2~ Cu~(3-x)~ Pd~x~ O~y~ (x=0.5) with Pd~2+~ in Square Planar
Coordination
;
_journal_coden_ASTM              JSSCBI
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              610
_journal_page_last               614
_journal_paper_doi               10.1016/0022-4596(88)90157-0
_journal_volume                  73
_journal_year                    1988
_chemical_formula_structural     'Y Ba2 Cu2.5 Pd.5 O7'
_chemical_formula_sum            'Ba2 Cu2.5 O7 Pd0.5 Y'
_chemical_name_systematic
;
Yttrium barium copper palladium oxide (1/2/2.5/.5/7)
;
_space_group_IT_number           47
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      47
_symmetry_space_group_name_Hall  '-P 2 2'
_symmetry_space_group_name_H-M   'P m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   3.841(1)
_cell_length_b                   3.883(1)
_cell_length_c                   11.671(3)
_cell_volume                     174.1
_refine_ls_R_factor_all          0.1174
_cod_duplicate_entry             1000234
_cod_original_formula_sum        'Ba2 Cu2.5 O7 Pd.5 Y'
_cod_database_code               1008372
Crystallographic and Magnetic Structure of Li~2~ Mn O~3~
Strobel, P; Lambert-Andron, B; Journal of Solid State Chemistry 75 (1988) 90–98; doi:10.1016/0022-4596(88)90305-2

data_1008373
_publ_section_title
;
Crystallographic and Magnetic Structure of Li~2~ Mn O~3~
;
_journal_coden_ASTM              JSSCBI
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              90
_journal_page_last               98
_journal_paper_doi               10.1016/0022-4596(88)90305-2
_journal_volume                  75
_journal_year                    1988
_chemical_formula_structural     'Li2 Mn O3'
_chemical_formula_sum            'Li2 Mn O3'
_chemical_name_systematic        'Dilithium manganese(IV) trioxide'
_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                 109.46(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   4.937(1)
_cell_length_b                   8.532(1)
_cell_length_c                   5.030(2)
_cell_volume                     199.8
_refine_ls_R_factor_all          0.02
_cod_database_code               1008373
Powder neutron diffraction studies of the low-temperature phase transitions in stoichiometric Ba V S~3~
Ghedira, M; Anne, M; Chenavas, J; Marezio, M; Sayetat, F; Journal of Physics C 19 (1986) 6489–6503; doi:10.1088/0022-3719/19/33/003

data_1008374
_publ_section_title
;
Powder neutron diffraction studies of the low-temperature phase
transitions in stoichiometric Ba V S~3~
;
_journal_coden_ASTM              JPSOAW
_journal_name_full               'Journal of Physics C'
_journal_page_first              6489
_journal_page_last               6503
_journal_paper_doi               10.1088/0022-3719/19/33/003
_journal_volume                  19
_journal_year                    1986
_chemical_formula_structural     'Ba V S3'
_chemical_formula_sum            'Ba S3 V'
_chemical_name_systematic        'Barium vanadium(IV) sulfide'
_space_group_IT_number           63
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      63
_symmetry_space_group_name_Hall  '-C 2c 2'
_symmetry_space_group_name_H-M   'C m c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.7572(1)
_cell_length_b                   11.4866(2)
_cell_length_c                   5.5994(1)
_cell_volume                     434.6
_refine_ls_R_factor_all          0.052
_cod_database_code               1008374
Powder neutron diffraction studies of the low-temperature phase transitions in stoichiometric Ba V S~3~
Ghedira, M; Anne, M; Chenavas, J; Marezio, M; Sayetat, F; Journal of Physics C 19 (1986) 6489–6503; doi:10.1088/0022-3719/19/33/003

data_1008375
_publ_section_title
;
Powder neutron diffraction studies of the low-temperature phase
transitions in stoichiometric Ba V S~3~
;
_journal_coden_ASTM              JPSOAW
_journal_name_full               'Journal of Physics C'
_journal_page_first              6489
_journal_page_last               6503
_journal_paper_doi               10.1088/0022-3719/19/33/003
_journal_volume                  19
_journal_year                    1986
_chemical_formula_structural     'Ba V S3'
_chemical_formula_sum            'Ba S3 V'
_chemical_name_systematic        'Barium vanadium(IV) sulfide'
_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            4
_cell_length_a                   6.7572(1)
_cell_length_b                   11.4866(2)
_cell_length_c                   5.5994(1)
_cell_volume                     434.6
_refine_ls_R_factor_all          0.043
_cod_database_code               1008375
Powder neutron diffraction studies of the low-temperature phase transitions in stoichiometric Ba V S~3~
Ghedira, M; Anne, M; Chenavas, J; Marezio, M; Sayetat, F; Journal of Physics C 19 (1986) 6489–6503; doi:10.1088/0022-3719/19/33/003

data_1008376
_publ_section_title
;
Powder neutron diffraction studies of the low-temperature phase
transitions in stoichiometric Ba V S~3~
;
_journal_coden_ASTM              JPSOAW
_journal_name_full               'Journal of Physics C'
_journal_page_first              6489
_journal_page_last               6503
_journal_paper_doi               10.1088/0022-3719/19/33/003
_journal_volume                  19
_journal_year                    1986
_chemical_formula_structural     'Ba V S3'
_chemical_formula_sum            'Ba S3 V'
_chemical_name_systematic        'Barium vanadium(IV) sulfide'
_space_group_IT_number           20
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      20
_symmetry_space_group_name_Hall  'C 2c 2'
_symmetry_space_group_name_H-M   'C 2 2 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.7572(1)
_cell_length_b                   11.4866(2)
_cell_length_c                   5.5994(1)
_cell_volume                     434.6
_refine_ls_R_factor_all          0.05
_cod_database_code               1008376