LMucko/crystallography-open-database huggingface dataset:
Etude crystallographique de sulfures de terres rares et de sodium
Ballestracci, R; Bertaut, E F; Bulletin de la Societe Francaise de Mineralogie et de Cristallographie (72,1949-100,1977) 87 (1964) 512–517; doi:

data_1008971
_publ_section_title
;
Etude crystallographique de sulfures de terres rares et de sodium
;
_journal_coden_ASTM              BUFCAE
_journal_name_full
;
Bulletin de la Societe Francaise de Mineralogie et de Cristallographie
(72,1949-100,1977)
;
_journal_page_first              512
_journal_page_last               517
_journal_volume                  87
_journal_year                    1964
_chemical_formula_structural     'Na Nd S2'
_chemical_formula_sum            'Na Nd S2'
_chemical_name_systematic        'Sodium neodymium sulfide'
_space_group_IT_number           225
_symmetry_cell_setting           cubic
_symmetry_Int_Tables_number      225
_symmetry_space_group_name_Hall  '-F 4 2 3'
_symmetry_space_group_name_H-M   'F m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.803
_cell_length_b                   5.803
_cell_length_c                   5.803
_cell_volume                     195.4
_cod_database_code               1008971
Two new families of lanthanide mixed-ligand complexes, oxalate- carbonate and oxalate-formate: synthesis and and structure of (Ce (H2 O))2 (C2 O4)2 (C O3) * 2.5 H2 O
Romero, S; Mosset, A; Trombe, J C; Journal of Solid State Chemistry 127 (1996) 256–266; doi:10.1006/jssc.1996.0382

data_1008972
_publ_section_title
;
Two new families of lanthanide mixed-ligand complexes, oxalate-
carbonate and oxalate-formate: synthesis and and structure of (Ce (H2
O))2 (C2 O4)2 (C O3) * 2.5 H2 O
;
_journal_coden_ASTM              JSSCBI
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              256
_journal_page_last               266
_journal_paper_doi               10.1006/jssc.1996.0382
_journal_volume                  127
_journal_year                    1996
_chemical_formula_structural     '(Ce (H2 O))2 (C2 O4)2 (C O3) (H2 O)2.5'
_chemical_formula_sum            'C5 H9 Ce2 O15.5'
_chemical_name_systematic
;
Bis(aquacerium) dioxalate carbonate 2.5-hydrate
;
_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                105.59(2)
_cell_angle_beta                 90.47(3)
_cell_angle_gamma                105.13(2)
_cell_formula_units_Z            2
_cell_length_a                   6.329(2)
_cell_length_b                   8.743(2)
_cell_length_c                   13.004(4)
_cell_volume                     666.7
_refine_ls_R_factor_all          0.0186
_cod_depositor_comments
;
 Correcting the summary chemical formula by changing it from 'Ce2 H9 O15.5'
 to 'C5 H9 Ce2 O15.5'.

 Antanas Vaitkus,
 2018-07-07

 Removing the dummy hydrogen atom 'H1' since the number of hydrogen atoms
 without explicit coordinates is already specified using the
 _attached_hydrogen_atoms data item.

 Antanas Vaitkus,
 2018-07-07
;
_cod_original_formula_sum        'H9 Ce2 O15.5'
_cod_database_code               1008972
Two new families of lanthanide mixed-ligand complexes, oxalate- carbonate and oxalate-formate: synthesis and and structure of (Ce (H2 O))2 (C2 O4)2 (C O3) * 2.5 H2 O
Romero, S; Mosset, A; Trombe, J C; Journal of Solid State Chemistry 127 (1996) 256–266; doi:10.1006/jssc.1996.0382

data_1008973
_publ_section_title
;
Two new families of lanthanide mixed-ligand complexes, oxalate-
carbonate and oxalate-formate: synthesis and and structure of (Ce (H2
O))2 (C2 O4)2 (C O3) * 2.5 H2 O
;
_journal_coden_ASTM              JSSCBI
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              256
_journal_page_last               266
_journal_paper_doi               10.1006/jssc.1996.0382
_journal_volume                  127
_journal_year                    1996
_chemical_formula_structural     'Ce (C2 O4) (H C O2)'
_chemical_formula_sum            'C3 H Ce O6'
_chemical_name_systematic        'Cerium oxalate formate'
_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                   7.322(1)
_cell_length_b                   10.825(2)
_cell_length_c                   6.738(1)
_cell_volume                     534.1
_refine_ls_R_factor_all          0.0189
_cod_original_formula_sum        'H Ce O6'
_cod_database_code               1008973
Preparation et pameteres de maille de quelques pnictures d'americium et de curium
Charvillat, J P; Benedict, U; Damien, D; Muller, W; Radiochemical and Radioanalytical Letters 20 (1975) 371–381; doi:

data_1008974
_publ_section_title
;
Preparation et pameteres de maille de quelques pnictures d'americium et
de curium
;
_journal_coden_ASTM              RRALAZ
_journal_name_full               'Radiochemical and Radioanalytical Letters'
_journal_page_first              371
_journal_page_last               381
_journal_volume                  20
_journal_year                    1975
_chemical_formula_structural     'Am P'
_chemical_formula_sum            'Am P'
_chemical_name_systematic        'Americium phosphide'
_space_group_IT_number           225
_symmetry_cell_setting           cubic
_symmetry_Int_Tables_number      225
_symmetry_space_group_name_Hall  '-F 4 2 3'
_symmetry_space_group_name_H-M   'F m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.7114(3)
_cell_length_b                   5.7114
_cell_length_c                   5.7114
_cell_volume                     186.3
_cod_database_code               1008974
Preparation et pameteres de maille de quelques pnictures d'americium et de curium
Charvillat, J P; Benedict, U; Damien, D; Muller, W; Radiochemical and Radioanalytical Letters 20 (1975) 371–381; doi:

data_1008975
_publ_section_title
;
Preparation et pameteres de maille de quelques pnictures d'americium et
de curium
;
_journal_coden_ASTM              RRALAZ
_journal_name_full               'Radiochemical and Radioanalytical Letters'
_journal_page_first              371
_journal_page_last               381
_journal_volume                  20
_journal_year                    1975
_chemical_formula_structural     'Am Sb'
_chemical_formula_sum            'Am Sb'
_chemical_name_systematic        'Americium antimonide'
_space_group_IT_number           225
_symmetry_cell_setting           cubic
_symmetry_Int_Tables_number      225
_symmetry_space_group_name_Hall  '-F 4 2 3'
_symmetry_space_group_name_H-M   'F m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.240(2)
_cell_length_b                   6.24
_cell_length_c                   6.24
_cell_volume                     243.0
_cod_database_code               1008975
Curium-248 monopnictides and monochalcogenides
Charvillat, J P; Benedict, U; Damien, D; Muller, W; Radiochemical and Radioanalytical Letters 20 (1975) 371–381; doi:

data_1008976
_publ_section_title
;
Curium-248 monopnictides and monochalcogenides
;
_journal_coden_ASTM              RRALAZ
_journal_name_full               'Radiochemical and Radioanalytical Letters'
_journal_page_first              371
_journal_page_last               381
_journal_volume                  20
_journal_year                    1975
_chemical_formula_structural     'Cm As'
_chemical_formula_sum            'As Cm'
_chemical_name_systematic        'Curium arsenide'
_space_group_IT_number           225
_symmetry_cell_setting           cubic
_symmetry_Int_Tables_number      225
_symmetry_space_group_name_Hall  '-F 4 2 3'
_symmetry_space_group_name_H-M   'F m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.901(6)
_cell_length_b                   5.901
_cell_length_c                   5.901
_cell_volume                     205.5
_cod_database_code               1008976
Analyse de l'ordre dans les arseniures M M' As
Roy-Montreuil, J; Chaudouet, P; Rouault, A; Boursier, D; Senateur, J P; Fruchart, R; Annales de Chimie (Paris) (Vol=Year) 9 (1984) 579–586; doi:

data_1008977
_publ_section_title
;
Analyse de l'ordre dans les arseniures M M' As
;
_journal_coden_ASTM              ANCPAC
_journal_name_full               'Annales de Chimie (Paris) (Vol=Year)'
_journal_page_first              579
_journal_page_last               586
_journal_volume                  9
_journal_year                    1984
_chemical_formula_structural     'Co Rh As'
_chemical_formula_sum            'As Co Rh'
_chemical_name_systematic        'Cobalt rhodium arsenide (1/1/1)'
_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                   5.918(1)
_cell_length_b                   3.746(1)
_cell_length_c                   7.029(1)
_cell_volume                     155.8
_cod_database_code               1008977
Evolution structurale des phosphures, arseniures et arseniophophures M2 P, M2 As et M2 (P1-x Asx)
Nylund, M A; Roger, A; Senateur, J P; Fruchart, R; Journal of Solid State Chemistry 4 (1972) 115–122; doi:10.1016/0022-4596(72)90139-9

data_1008978
_publ_section_title
;
Evolution structurale des phosphures, arseniures et arseniophophures M2
P, M2 As et M2 (P1-x Asx)
;
_journal_coden_ASTM              JSSCBI
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              115
_journal_page_last               122
_journal_paper_doi               10.1016/0022-4596(72)90139-9
_journal_volume                  4
_journal_year                    1972
_chemical_formula_structural     'Cr Ni As'
_chemical_formula_sum            'As Cr Ni'
_chemical_name_systematic        'Chromium nickel arsenide (1/1/1)'
_space_group_IT_number           189
_symmetry_cell_setting           hexagonal
_symmetry_Int_Tables_number      189
_symmetry_space_group_name_Hall  'P -6 -2'
_symmetry_space_group_name_H-M   'P -6 2 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   6.102(2)
_cell_length_b                   6.102
_cell_length_c                   3.654(1)
_cell_volume                     117.8
_cod_database_code               1008978
Influence de l'electronegativite sur l'apparition de l'ordre dans les phases MM'As (M=Ru, Rh, Pd; M' = element des transition 3d)
Deyris, B; Roy-Montreuil, J; Michel, A; Fruchart, R; Senateur, J P; Boursier, D; Annales de Chimie (Paris) (Vol=Year) 4 (1979) 411–417; doi:

data_1008979
_publ_section_title
;
Influence de l'electronegativite sur l'apparition de l'ordre dans les
phases MM'As (M=Ru, Rh, Pd; M' = element des transition 3d)
;
_journal_coden_ASTM              ANCPAC
_journal_name_full               'Annales de Chimie (Paris) (Vol=Year)'
_journal_page_first              411
_journal_page_last               417
_journal_volume                  4
_journal_year                    1979
_chemical_formula_structural     'Cr Pd As'
_chemical_formula_sum            'As Cr Pd'
_chemical_name_systematic        'Chromium palladium arsenide (1/1/1)'
_space_group_IT_number           189
_symmetry_cell_setting           hexagonal
_symmetry_Int_Tables_number      189
_symmetry_space_group_name_Hall  'P -6 -2'
_symmetry_space_group_name_H-M   'P -6 2 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   6.510(1)
_cell_length_b                   6.51
_cell_length_c                   3.685(1)
_cell_volume                     135.2
_refine_ls_R_factor_all          0.092
_cod_database_code               1008979
Influence de l'electronegativite sur l'apparition de l'ordre dans les phases MM'As (M=Ru, Rh, Pd; M' = element des transition 3d)
Deyris, B; Roy-Montreuil, J; Michel, A; Fruchart, R; Senateur, J P; Boursier, D; Annales de Chimie (Paris) (Vol=Year) 4 (1979) 411–417; doi:

data_1008980
_publ_section_title
;
Influence de l'electronegativite sur l'apparition de l'ordre dans les
phases MM'As (M=Ru, Rh, Pd; M' = element des transition 3d)
;
_journal_coden_ASTM              ANCPAC
_journal_name_full               'Annales de Chimie (Paris) (Vol=Year)'
_journal_page_first              411
_journal_page_last               417
_journal_volume                  4
_journal_year                    1979
_chemical_formula_structural     'Cr Rh As'
_chemical_formula_sum            'As Cr Rh'
_chemical_name_systematic        'Chromium rhodium arsenide (1/1/1)'
_space_group_IT_number           189
_symmetry_cell_setting           hexagonal
_symmetry_Int_Tables_number      189
_symmetry_space_group_name_Hall  'P -6 -2'
_symmetry_space_group_name_H-M   'P -6 2 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   6.384(1)
_cell_length_b                   6.384
_cell_length_c                   3.718(1)
_cell_volume                     131.2
_refine_ls_R_factor_all          0.062
_cod_database_code               1008980
Helimagnetism in Mn P-type compounds: Mn P, Fe P, Cr As and Cr A1-x Sbx
Kallel, A; Boller, H; Bertaut, E F; Journal of Physics and Chemistry of Solids 35 (1974) 1139–1152; doi:10.1016/S0022-3697(74)80132-0

data_1008981
_publ_section_title
;
Helimagnetism in Mn P-type compounds: Mn P, Fe P, Cr As and Cr A1-x Sbx
;
_journal_coden_ASTM              JPCSAW
_journal_name_full               'Journal of Physics and Chemistry of Solids'
_journal_page_first              1139
_journal_page_last               1152
_journal_paper_doi               10.1016/S0022-3697(74)80132-0
_journal_volume                  35
_journal_year                    1974
_chemical_formula_structural     'Cr (As0.5 Sb0.5)'
_chemical_formula_sum            'As0.5 Cr Sb0.5'
_chemical_name_systematic
;
Chromium arsenide antimonide (1/0.5/0.5) - LT
;
_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                   5.789
_cell_length_b                   3.76
_cell_length_c                   6.474
_cell_volume                     140.9
_refine_ls_R_factor_all          0.05
_cod_original_formula_sum        'As.5 Cr Sb.5'
_cod_database_code               1008981
Helimagnetism in Mn P-type compounds: Mn P, Fe P, Cr As and Cr A1-x Sbx
Kallel, A; Boller, H; Bertaut, E F; Journal of Physics and Chemistry of Solids 35 (1974) 1139–1152; doi:10.1016/S0022-3697(74)80132-0

data_1008982
_publ_section_title
;
Helimagnetism in Mn P-type compounds: Mn P, Fe P, Cr As and Cr A1-x Sbx
;
_journal_coden_ASTM              JPCSAW
_journal_name_full               'Journal of Physics and Chemistry of Solids'
_journal_page_first              1139
_journal_page_last               1152
_journal_paper_doi               10.1016/S0022-3697(74)80132-0
_journal_volume                  35
_journal_year                    1974
_chemical_formula_structural     'Cr (As0.67 Sb0.33)'
_chemical_formula_sum            'As0.67 Cr Sb0.33'
_chemical_name_systematic        'Chromium arsenide antimonide (1/0.67/0.33)'
_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                   5.745
_cell_length_b                   3.699
_cell_length_c                   6.406
_cell_volume                     136.1
_refine_ls_R_factor_all          0.03
_cod_original_formula_sum        'As.67 Cr Sb.33'
_cod_database_code               1008982
Helimagnetism in Mn P-type compounds: Mn P, Fe P, Cr As and Cr A1-x Sbx
Kallel, A; Boller, H; Bertaut, E F; Journal of Physics and Chemistry of Solids 35 (1974) 1139–1152; doi:10.1016/S0022-3697(74)80132-0

data_1008983
_publ_section_title
;
Helimagnetism in Mn P-type compounds: Mn P, Fe P, Cr As and Cr A1-x Sbx
;
_journal_coden_ASTM              JPCSAW
_journal_name_full               'Journal of Physics and Chemistry of Solids'
_journal_page_first              1139
_journal_page_last               1152
_journal_paper_doi               10.1016/S0022-3697(74)80132-0
_journal_volume                  35
_journal_year                    1974
_chemical_formula_structural     'Cr (As0.72 Sb0.28)'
_chemical_formula_sum            'As0.72 Cr Sb0.28'
_chemical_name_systematic        'Chromium arsenide antimonide (1/0.72/0.28)'
_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                   5.735
_cell_length_b                   3.659
_cell_length_c                   6.355
_cell_volume                     133.4
_refine_ls_R_factor_all          0.03
_cod_original_formula_sum        'As.72 Cr Sb.28'
_cod_database_code               1008983
Effets magnetostrictifs spontanes de quelques composes de terres rares. II Les combinaisons Ln X
Levy, F; Physik der Kondensierten Materie 10 (1969) 85–106; doi:

data_1008984
_publ_section_title
;
Effets magnetostrictifs spontanes de quelques composes de terres rares.
II Les combinaisons Ln X
;
_journal_coden_ASTM              PKOMA3
_journal_name_full               'Physik der Kondensierten Materie'
_journal_page_first              85
_journal_page_last               106
_journal_volume                  10
_journal_year                    1969
_chemical_formula_structural     'Ho As'
_chemical_formula_sum            'As Ho'
_chemical_name_systematic        'Holmium arsenide (1/1)'
_space_group_IT_number           225
_symmetry_cell_setting           cubic
_symmetry_Int_Tables_number      225
_symmetry_space_group_name_Hall  '-F 4 2 3'
_symmetry_space_group_name_H-M   'F m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.769
_cell_length_b                   5.769
_cell_length_c                   5.769
_cell_volume                     192.0
_exptl_crystal_density_meas      5.4
_cod_database_code               1008984
Determination de la structure cristallographique de la phase de type G Ni16 Mn6 As7
Lambert-Andron, B; Chaudouet, P; Madar, R; Fruchart, R; Physica Status Solidi, Sectio A: Applied Research 82 (1984) K133–K136; doi:10.1002/pssa.2210820237

data_1008985
_publ_section_title
;
Determination de la structure cristallographique de la phase de type G
Ni16 Mn6 As7
;
_journal_coden_ASTM              PSSABA
_journal_name_full
;
Physica Status Solidi, Sectio A: Applied Research
;
_journal_page_first              K133
_journal_page_last               K136
_journal_paper_doi               10.1002/pssa.2210820237
_journal_volume                  82
_journal_year                    1984
_chemical_formula_structural     'Mn6 Ni16 As7'
_chemical_formula_sum            'As7 Mn6 Ni16'
_chemical_name_systematic        'Manganese nickel arsenide (6/16/7)'
_space_group_IT_number           225
_symmetry_cell_setting           cubic
_symmetry_Int_Tables_number      225
_symmetry_space_group_name_Hall  '-F 4 2 3'
_symmetry_space_group_name_H-M   'F m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.4000(5)
_cell_length_b                   11.4
_cell_length_c                   11.4
_cell_volume                     1481.5
_refine_ls_R_factor_all          0.027
_cod_database_code               1008985
_cod_duplicate_entry 1008796
Analyse de l'ordre dans les arseniures MM'As
Roy-Montreuil, J; Chaudouet, P; Rouault, A; Boursier, D; Senateur, J P; Fruchart, R; Annales de Chimie (Paris) (Vol=Year) 9 (1984) 579–586; doi:

data_1008986
_publ_section_title
;
Analyse de l'ordre dans les arseniures MM'As
;
_journal_coden_ASTM              ANCPAC
_journal_name_full               'Annales de Chimie (Paris) (Vol=Year)'
_journal_page_first              579
_journal_page_last               586
_journal_volume                  9
_journal_year                    1984
_chemical_formula_structural     'Mn Rh As'
_chemical_formula_sum            'As Mn Rh'
_chemical_name_systematic        'Manganese rhodium arsenide (1/1/1)'
_space_group_IT_number           189
_symmetry_cell_setting           hexagonal
_symmetry_Int_Tables_number      189
_symmetry_space_group_name_Hall  'P -6 -2'
_symmetry_space_group_name_H-M   'P -6 2 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   6.482(1)
_cell_length_b                   6.482
_cell_length_c                   3.714(1)
_cell_volume                     135.1
_refine_ls_R_factor_all          0.097
_cod_database_code               1008986
Influence de l'electronegativite sur l'apparition de l'ordre dans les phases MM' P et MM' AS
Roy-Montreuil, J; Deyris, B; Michel, A; Fruchart, R; Senateur, J P; Boursier, D; Annales de Chimie (Paris) (Vol=Year) 4 (1979) 411–417; doi:

data_1008987
_publ_section_title
;
Influence de l'electronegativite sur l'apparition de l'ordre dans les
phases MM' P et MM' AS
;
_journal_coden_ASTM              ANCPAC
_journal_name_full               'Annales de Chimie (Paris) (Vol=Year)'
_journal_page_first              411
_journal_page_last               417
_journal_volume                  4
_journal_year                    1979
_chemical_formula_structural     'Mn Ru As'
_chemical_formula_sum            'As Mn Ru'
_chemical_name_systematic        'Manganese ruthenium arsenide (1/1/1)'
_space_group_IT_number           189
_symmetry_cell_setting           hexagonal
_symmetry_Int_Tables_number      189
_symmetry_space_group_name_Hall  'P -6 -2'
_symmetry_space_group_name_H-M   'P -6 2 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   6.5155(10)
_cell_length_b                   6.5155
_cell_length_c                   3.614(1)
_cell_volume                     132.9
_refine_ls_R_factor_all          0.053
_cod_database_code               1008987