LMucko/crystallography-open-database huggingface dataset:
Role of vacancies in misfit layered compounds: the case of the gadolinium chromium sulfide compound
Rouxel, J; Moelo, Y; Lafond, A; DiSalvo, F J; Meerschaut, A; Roesky, R; Inorganic Chemistry 33 (1994) 3358–3363; doi:10.1021/ic00093a026

data_1005015
_publ_section_title
;
Role of vacancies in misfit layered compounds: the case of the
gadolinium chromium sulfide compound
;
_journal_coden_ASTM              INOCAJ
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              3358
_journal_page_last               3363
_journal_paper_doi               10.1021/ic00093a026
_journal_volume                  33
_journal_year                    1994
_chemical_formula_analytical     '(Gd S)1.27 (Cr S2)'
_chemical_formula_structural     'Gd0.957 S'
_chemical_formula_sum            'Gd0.957 S'
_chemical_name_systematic        'Gadolinium sulfide (0.96/1)'
_space_group_IT_number           64
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      64
_symmetry_space_group_name_Hall  '-C 2ac 2'
_symmetry_space_group_name_H-M   'C m c a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   5.454(1)
_cell_length_b                   5.8098(6)
_cell_length_c                   21.461(4)
_cell_volume                     680.0
_refine_ls_R_factor_all          0.054
_cod_original_formula_sum        'Gd.957 S'
_cod_database_code               1005015
Refined structure and properties of the layered Mott insulator Ba Co S2
Snyder, G J; Gelabert, M C; DiSalvo, F J; Journal of Solid State Chemistry 113 (1994) 355–361; doi:10.1006/jssc.1994.1380

data_1005016
_publ_section_title
;
Refined structure and properties of the layered Mott insulator Ba Co S2
;
_journal_coden_ASTM              JSSCBI
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              355
_journal_page_last               361
_journal_paper_doi               10.1006/jssc.1994.1380
_journal_volume                  113
_journal_year                    1994
_chemical_formula_structural     'Ba Co S2'
_chemical_formula_sum            'Ba Co S2'
_chemical_name_systematic        'Barium cobalt sulfide'
_space_group_IT_number           67
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      67
_symmetry_space_group_name_Hall  '-C 2a 2'
_symmetry_space_group_name_H-M   'C m m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.4413(3)
_cell_length_b                   6.4926(3)
_cell_length_c                   8.9406(3)
_cell_volume                     373.9
_refine_ls_R_factor_all          0.045
_cod_database_code               1005016
Crystal structure and physical properties of Ce3 Pd6 Sb5
Gordon, R A; DiSalvo, F J; Poettgen, R; Journal of Alloys Compd. 228 (1995) 16–22; doi:10.1016/0925-8388(95)01689-9

data_1005017
_publ_section_title
;
Crystal structure and physical properties of Ce3 Pd6 Sb5
;
_journal_coden_ASTM              JALCEU
_journal_name_full               'Journal of Alloys Compd.'
_journal_page_first              16
_journal_page_last               22
_journal_paper_doi               10.1016/0925-8388(95)01689-9
_journal_volume                  228
_journal_year                    1995
_chemical_formula_structural     'Ce3 Pd6 Sb5'
_chemical_formula_sum            'Ce3 Pd6 Sb5'
_chemical_name_systematic        'Cerium palladium antimonide (3/6/5)'
_space_group_IT_number           59
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ab 2a'
_symmetry_space_group_name_H-M   'P m m n :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   13.481(2)
_cell_length_b                   4.459(1)
_cell_length_c                   10.050(1)
_cell_volume                     604.1
_refine_ls_R_factor_all          0.022
_cod_original_sg_symbol_H-M      'P m m n Z'
_cod_database_code               1005017
The crystal structure of La3 Mo4.33 Al.67 O14 and the electronic structure of La3 Mo4 X O14 (X=Si, Mo1/3 Al2/3; Al1/2 V1/2)
McCarroll, W H; Podejko, K; Cheetham, A K; Thomas, D M; DiSalvo, F J; Journal of Solid State Chemistry 62 (1986) 241–252; doi:10.1016/0022-4596(86)90237-9

data_1005018
_publ_section_title
;
The crystal structure of La3 Mo4.33 Al.67 O14 and the electronic
structure of La3 Mo4 X O14 (X=Si, Mo1/3 Al2/3; Al1/2 V1/2)
;
_journal_coden_ASTM              JSSCBI
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              241
_journal_page_last               252
_journal_paper_doi               10.1016/0022-4596(86)90237-9
_journal_volume                  62
_journal_year                    1986
_chemical_formula_structural     'La3 Mo4 (Mo.33 Al.67) O14'
_chemical_formula_sum            'Al0.67 La3 Mo4.33 O14'
_chemical_name_systematic
;
Lanthanum molybdenum aluminum oxide (3/4.3/.7/14)
;
_space_group_IT_number           62
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   17.750(3)
_cell_length_b                   5.6600(9)
_cell_length_c                   11.070(2)
_cell_volume                     1112.1
_refine_ls_R_factor_all          0.0343
_cod_original_formula_sum        'Al.67 La3 Mo4.33 O14'
_cod_database_code               1005018
Synthesis and crystal structure of Sr2 Zn N2 and Ba2 Zn N2
Yamane, H; DiSalvo, F J; Journal of Solid State Chemistry 119 (1995) 375–379; doi:10.1016/0022-4596(95)80055-T

data_1005019
_publ_section_title
;
Synthesis and crystal structure of Sr2 Zn N2 and Ba2 Zn N2
;
_journal_coden_ASTM              JSSCBI
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              375
_journal_page_last               379
_journal_paper_doi               10.1016/0022-4596(95)80055-T
_journal_volume                  119
_journal_year                    1995
_chemical_formula_structural     'Sr2 (Zn N2)'
_chemical_formula_sum            'N2 Sr2 Zn'
_chemical_name_systematic        'Strontium dinitridozincate'
_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                   3.8568(2)
_cell_length_b                   3.8568(2)
_cell_length_c                   12.935(1)
_cell_volume                     192.4
_refine_ls_R_factor_all          0.049
_cod_database_code               1005019
Synthesis and crystal structure of Sr2 Zn N2 and Ba2 Zn N2
Yamane, H; DiSalvo, F J; Journal of Solid State Chemistry 119 (1995) 375–379; doi:10.1016/0022-4596(95)80055-T

data_1005020
_publ_section_title
;
Synthesis and crystal structure of Sr2 Zn N2 and Ba2 Zn N2
;
_journal_coden_ASTM              JSSCBI
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              375
_journal_page_last               379
_journal_paper_doi               10.1016/0022-4596(95)80055-T
_journal_volume                  119
_journal_year                    1995
_chemical_formula_structural     'Ba2 (Zn N2)'
_chemical_formula_sum            'Ba2 N2 Zn'
_chemical_name_systematic        'Barium dinitridozincate'
_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                   4.152(1)
_cell_length_b                   4.152(1)
_cell_length_c                   13.055(3)
_cell_volume                     225.1
_refine_ls_R_factor_all          0.039
_cod_database_code               1005020
Preparation and crystal structure of a new barium silicon nitride, Ba5 Si2 N6
Yamane, H; DiSalvo, F J; Journal of Alloys Compd. 240 (1996) 33–36; doi:10.1016/0925-8388(96)02242-6

data_1005021
_publ_section_title
;
Preparation and crystal structure of a new barium silicon nitride, Ba5
Si2 N6
;
_journal_coden_ASTM              JALCEU
_journal_name_full               'Journal of Alloys Compd.'
_journal_page_first              33
_journal_page_last               36
_journal_paper_doi               10.1016/0925-8388(96)02242-6
_journal_volume                  240
_journal_year                    1996
_chemical_formula_structural     'Ba5 Si2 N6'
_chemical_formula_sum            'Ba5 N6 Si2'
_chemical_name_systematic        'Pentabarium disilicon nitride'
_space_group_IT_number           19
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      19
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.159(1)
_cell_length_b                   10.305(2)
_cell_length_c                   15.292(3)
_cell_volume                     970.6
_refine_ls_R_factor_all          0.037
_cod_database_code               1005021
Corrigendum to "New cerium nitride chlorides: Ce6 Cl12 N2 and Ce N Cl"
Ehrlich, G M; Badding, M E; Brese, N E; Trail, S S; DiSalvo, F J; Journal of Alloys Compd. 235 (1996) 133–134; doi:10.1016/0925-8388(95)02134-5

data_1005022
_publ_section_title
;
Corrigendum to "New cerium nitride chlorides: Ce6 Cl12 N2 and Ce N Cl"
;
_journal_coden_ASTM              JALCEU
_journal_name_full               'Journal of Alloys Compd.'
_journal_page_first              133
_journal_page_last               134
_journal_paper_doi               10.1016/0925-8388(95)02134-5
_journal_volume                  235
_journal_year                    1996
_chemical_formula_structural     'Ce3 Cl6 N'
_chemical_formula_sum            'Ce3 Cl6 N'
_chemical_name_systematic        'Tricerium hexachloride nitride'
_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                   10.708(2)
_cell_length_b                   11.233(2)
_cell_length_c                   16.52699(300)
_cell_volume                     1987.9
_refine_ls_R_factor_all          0.027
_cod_database_code               1005022
Structural and electronic properties of K2 Ni3 S4, a pseudo-two dimensional compound with a honeycomb-like arrangement
Elder, S H; Jobic, S; Brec, R; Gelabert, M; DiSalvo, F J; Journal of Alloys Compd. 235 (1996) 135–142; doi:10.1016/0925-8388(95)02064-0

data_1005023
_publ_section_title
;
Structural and electronic properties of K2 Ni3 S4, a pseudo-two
dimensional compound with a honeycomb-like arrangement
;
_journal_coden_ASTM              JALCEU
_journal_name_full               'Journal of Alloys Compd.'
_journal_page_first              135
_journal_page_last               142
_journal_paper_doi               10.1016/0925-8388(95)02064-0
_journal_volume                  235
_journal_year                    1996
_chemical_formula_structural     'K2 (Ni3 S4)'
_chemical_formula_sum            'K2 Ni3 S4'
_chemical_name_systematic        'Dipotassium phyllo-tetrathiotriniccolate'
_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            8
_cell_length_a                   5.723(2)
_cell_length_b                   10.040(3)
_cell_length_c                   26.05899(700)
_cell_volume                     1497.3
_refine_ls_R_factor_all          0.038
_cod_original_sg_symbol_H-M      'F d d d Z'
_cod_database_code               1005023
Physical properties of Ce Pd3 As2
Gordon, R A; DiSalvo, F J; Poettgen, R; Journal of Alloys Compd. 236 (1996) 86–91; doi:10.1016/0925-8388(95)02171-X

data_1005024
_publ_section_title              'Physical properties of Ce Pd3 As2'
_journal_coden_ASTM              JALCEU
_journal_name_full               'Journal of Alloys Compd.'
_journal_page_first              86
_journal_page_last               91
_journal_paper_doi               10.1016/0925-8388(95)02171-X
_journal_volume                  236
_journal_year                    1996
_chemical_formula_structural     'Ce Pd3 As2'
_chemical_formula_sum            'As2 Ce Pd3'
_chemical_name_systematic        'Cerium palladium arsenide (1/3/2)'
_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                 108.045(4)
_cell_angle_gamma                90
_cell_formula_units_Z            6
_cell_length_a                   16.67299(200)
_cell_length_b                   4.1205(4)
_cell_length_c                   9.998(1)
_cell_volume                     653.1
_refine_ls_R_factor_all          0.032
_cod_database_code               1005024
New cerium nitride chlorides: Ce6 Cl12 N2 and Ce N Cl
Ehrlich, G M; Badding, M E; Brese, N E; Trail, S S; DiSalvo, F J; Journal of Alloys Compd. 206 (1994) 95–101; doi:10.1016/0925-8388(94)90015-9

data_1005025
_publ_section_title
;
New cerium nitride chlorides: Ce6 Cl12 N2 and Ce N Cl
;
_journal_coden_ASTM              JALCEU
_journal_name_full               'Journal of Alloys Compd.'
_journal_page_first              95
_journal_page_last               101
_journal_paper_doi               10.1016/0925-8388(94)90015-9
_journal_volume                  206
_journal_year                    1994
_chemical_formula_structural     'Ce3 Cl6 N1'
_chemical_formula_sum            'Ce3 Cl6 N'
_chemical_name_systematic        'Tricerium hexacachloride nitride'
_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                   10.708(2)
_cell_length_b                   11.233(2)
_cell_length_c                   16.52699(300)
_cell_volume                     1987.9
_refine_ls_R_factor_all          0.027
_cod_database_code               1005025
Synthesis and structure of a new quinary sulfide halide: La Ca2 Ge S4 Cl3
Gitzendanner, R L; DiSalvo, F J; Inorganic Chemistry 35 (1996) 2623–2626; doi:10.1021/ic951184z

data_1005026
_publ_section_title
;
Synthesis and structure of a new quinary sulfide halide: La Ca2 Ge S4
Cl3
;
_journal_coden_ASTM              INOCAJ
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              2623
_journal_page_last               2626
_journal_paper_doi               10.1021/ic951184z
_journal_volume                  35
_journal_year                    1996
_chemical_formula_structural     'La Ca2 Ge S4 Cl3'
_chemical_formula_sum            'Ca2 Cl3 Ge La S4'
_chemical_name_systematic
;
Lanthanum dicalcium germanium tetrasulfide trichloride
;
_space_group_IT_number           186
_symmetry_cell_setting           hexagonal
_symmetry_Int_Tables_number      186
_symmetry_space_group_name_Hall  'P 6c -2c'
_symmetry_space_group_name_H-M   'P 63 m c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   9.7311(14)
_cell_length_b                   9.7311(14)
_cell_length_c                   6.3366(13)
_cell_volume                     519.6
_refine_ls_R_factor_all          0.028
_cod_database_code               1005026
Synthesis and structure of two new strontium germanium nitrides: Sr3 Ge2 N2 and Sr2 Ge N2
Clarke, S J; Kowach, G R; DiSalvo, F J; Inorganic Chemistry 35 (1996) 7009–7012; doi:10.1021/ic960518x

data_1005027
_publ_section_title
;
Synthesis and structure of two new strontium germanium nitrides: Sr3
Ge2 N2 and Sr2 Ge N2
;
_journal_coden_ASTM              INOCAJ
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              7009
_journal_page_last               7012
_journal_paper_doi               10.1021/ic960518x
_journal_volume                  35
_journal_year                    1996
_chemical_formula_structural     'Sr3 Ge (Ge N2)'
_chemical_formula_sum            'Ge2 N2 Sr3'
_chemical_name_systematic        'Tristrontium germanide dinitridogermanate'
_space_group_IT_number           11
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      11
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 112.42(3)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   9.032(2)
_cell_length_b                   3.883(1)
_cell_length_c                   9.648(2)
_cell_volume                     312.8
_refine_ls_R_factor_all          0.106
_cod_database_code               1005027
Synthesis and structure of two new strontium germanium nitrides: Sr3 Ge2 N2 and Sr2 Ge N2
Clarke, S J; Kowach, G R; DiSalvo, F J; Inorganic Chemistry 35 (1996) 7009–7012; doi:10.1021/ic960518x

data_1005028
_publ_section_title
;
Synthesis and structure of two new strontium germanium nitrides: Sr3
Ge2 N2 and Sr2 Ge N2
;
_journal_coden_ASTM              INOCAJ
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              7009
_journal_page_last               7012
_journal_paper_doi               10.1021/ic960518x
_journal_volume                  35
_journal_year                    1996
_chemical_formula_structural     'Sr2 (Ge N2)'
_chemical_formula_sum            'Ge N2 Sr2'
_chemical_name_systematic        'Distrontium dinitridogermanate(II)'
_space_group_IT_number           135
_symmetry_cell_setting           tetragonal
_symmetry_Int_Tables_number      135
_symmetry_space_group_name_Hall  '-P 4c 2ab'
_symmetry_space_group_name_H-M   'P 42/m b c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   11.773(2)
_cell_length_b                   11.773(2)
_cell_length_c                   5.409(1)
_cell_volume                     749.7
_refine_ls_R_factor_all          0.038
_cod_database_code               1005028
Polymorphism and superstructure in Ba Co S2-d
Gelabert, M C; Brese, N E; DiSalvo, F J; Jobic, S; Deniard, P; Brec, R; Journal of Solid State Chemistry 127 (1996) 211–221; doi:10.1006/jssc.1996.0377

data_1005029
_publ_section_title
;
Polymorphism and superstructure in Ba Co S2-d
;
_journal_coden_ASTM              JSSCBI
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              211
_journal_page_last               221
_journal_paper_doi               10.1006/jssc.1996.0377
_journal_volume                  127
_journal_year                    1996
_chemical_formula_analytical     'Ba0.991 Co1.00 S1.873'
_chemical_formula_structural     'Ba Co S2'
_chemical_formula_sum            'Ba Co S2'
_chemical_name_systematic        'Barium cobalt sulfide'
_space_group_IT_number           129
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  '-P 4a 2a'
_symmetry_space_group_name_H-M   'P 4/n m m :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   4.568(1)
_cell_length_b                   4.568(1)
_cell_length_c                   8.942(2)
_cell_volume                     186.6
_exptl_crystal_density_meas      4.5
_refine_ls_R_factor_all          0.025
_cod_original_sg_symbol_H-M      'P 4/n m m Z'
_cod_database_code               1005029
Polymorphism and superstructure in Ba Co S2-d
Gelabert, M C; Brese, N E; DiSalvo, F J; Jobic, S; Deniard, P; Brec, R; Journal of Solid State Chemistry 127 (1996) 211–221; doi:10.1006/jssc.1996.0377

data_1005030
_publ_section_title
;
Polymorphism and superstructure in Ba Co S2-d
;
_journal_coden_ASTM              JSSCBI
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              211
_journal_page_last               221
_journal_paper_doi               10.1006/jssc.1996.0377
_journal_volume                  127
_journal_year                    1996
_chemical_formula_analytical     'Ba0.991 Co1.00 S1.873'
_chemical_formula_structural     'Ba Co S1.84'
_chemical_formula_sum            'Ba Co S1.84'
_chemical_name_systematic        'Barium cobalt sulfide (1/1/1.84)'
_space_group_IT_number           67
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      67
_symmetry_space_group_name_Hall  '-C 2a 2'
_symmetry_space_group_name_H-M   'C m m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.4390(3)
_cell_length_b                   6.4909(3)
_cell_length_c                   8.9379(4)
_cell_volume                     373.6
_exptl_crystal_density_meas      4.5
_refine_ls_R_factor_all          0.038
_cod_database_code               1005030
A barium germanium nitride, Ba3 Ge2 N2, containing (1-infinite)Ge(2-) and (Ge N2)(4-) anions
Yamane, H; DiSalvo, F J; Journal of Alloys Compd. 241 (1996) 69–74; doi:10.1016/0925-8388(96)02326-2

data_1005031
_publ_section_title
;
A barium germanium nitride, Ba3 Ge2 N2, containing (1-infinite)Ge(2-)
and (Ge N2)(4-) anions
;
_journal_coden_ASTM              JALCEU
_journal_name_full               'Journal of Alloys Compd.'
_journal_page_first              69
_journal_page_last               74
_journal_paper_doi               10.1016/0925-8388(96)02326-2
_journal_volume                  241
_journal_year                    1996
_chemical_formula_structural     'Ba3 Ge (Ge N2)'
_chemical_formula_sum            'Ba3 Ge2 N2'
_chemical_name_systematic        'Tribarium digermanium dinitride'
_space_group_IT_number           11
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      11
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 113.553(4)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   9.6196(6)
_cell_length_b                   4.0466(2)
_cell_length_c                   10.1337(5)
_cell_volume                     361.6
_refine_ls_R_factor_all          0.029
_cod_database_code               1005031