LMucko/crystallography-open-database huggingface dataset:
Thermal study of Li3 Th F7 ionic conductor by neutron diffraction: conduction pathways
Laligant, Y; Ferey, G; El Ghozzi, M; Avignant, D; European Journal of Solid State Inorganic Chemistry 29 (1992) 497–504; doi:

data_1000365
_publ_section_title
;
Thermal study of Li3 Th F7 ionic conductor by neutron diffraction:
conduction pathways
;
_journal_coden_ASTM              EJSCE5
_journal_name_full
;
European Journal of Solid State Inorganic Chemistry
;
_journal_page_first              497
_journal_page_last               504
_journal_volume                  29
_journal_year                    1992
_chemical_formula_structural     'Li3 Th F7'
_chemical_formula_sum            'F7 Li3 Th'
_chemical_name_systematic        'Trilithium thorium fluoride'
_space_group_IT_number           130
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  '-P 4a 2ac'
_symmetry_space_group_name_H-M   'P 4/n c c :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.20960(8)
_cell_length_b                   6.20960(8)
_cell_length_c                   12.9628(2)
_cell_volume                     499.8
_refine_ls_R_factor_all          0.031
_cod_original_sg_symbol_H-M      'P 4/n c c Z'
_cod_database_code               1000365
Thermal study of Li3 Th F7 ionic conductor by neutron diffraction: conduction pathways
Laligant, Y; Ferey, G; El Ghozzi, M; Avignant, D; European Journal of Solid State Inorganic Chemistry 29 (1992) 497–504; doi:

data_1000366
_publ_section_title
;
Thermal study of Li3 Th F7 ionic conductor by neutron diffraction:
conduction pathways
;
_journal_coden_ASTM              EJSCE5
_journal_name_full
;
European Journal of Solid State Inorganic Chemistry
;
_journal_page_first              497
_journal_page_last               504
_journal_volume                  29
_journal_year                    1992
_chemical_formula_structural     'Li3 Th F7'
_chemical_formula_sum            'F7 Li3 Th'
_chemical_name_systematic        'Trilithium thorium fluoride'
_space_group_IT_number           130
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  '-P 4a 2ac'
_symmetry_space_group_name_H-M   'P 4/n c c :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.21785(6)
_cell_length_b                   6.21785(6)
_cell_length_c                   12.9836(2)
_cell_volume                     502.0
_refine_ls_R_factor_all          0.031
_cod_original_sg_symbol_H-M      'P 4/n c c Z'
_cod_database_code               1000366
Thermal study of Li3 Th F7 ionic conductor by neutron diffraction: conduction pathways
Laligant, Y; Ferey, G; El Ghozzi, M; Avignant, D; European Journal of Solid State Inorganic Chemistry 29 (1992) 497–504; doi:

data_1000367
_publ_section_title
;
Thermal study of Li3 Th F7 ionic conductor by neutron diffraction:
conduction pathways
;
_journal_coden_ASTM              EJSCE5
_journal_name_full
;
European Journal of Solid State Inorganic Chemistry
;
_journal_page_first              497
_journal_page_last               504
_journal_volume                  29
_journal_year                    1992
_chemical_formula_structural     'Li3 Th F7'
_chemical_formula_sum            'F7 Li3 Th'
_chemical_name_systematic        'Trilithium thorium fluoride'
_space_group_IT_number           130
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  '-P 4a 2ac'
_symmetry_space_group_name_H-M   'P 4/n c c :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.23010(7)
_cell_length_b                   6.23010(7)
_cell_length_c                   13.0153(2)
_cell_volume                     505.2
_refine_ls_R_factor_all          0.034
_cod_original_sg_symbol_H-M      'P 4/n c c Z'
_cod_database_code               1000367
Thermal study of Li3 Th F7 ionic conductor by neutron diffraction: conduction pathways
Laligant, Y; Ferey, G; El Ghozzi, M; Avignant, D; European Journal of Solid State Inorganic Chemistry 29 (1992) 497–504; doi:

data_1000368
_publ_section_title
;
Thermal study of Li3 Th F7 ionic conductor by neutron diffraction:
conduction pathways
;
_journal_coden_ASTM              EJSCE5
_journal_name_full
;
European Journal of Solid State Inorganic Chemistry
;
_journal_page_first              497
_journal_page_last               504
_journal_volume                  29
_journal_year                    1992
_chemical_formula_structural     'Li3 Th F7'
_chemical_formula_sum            'F7 Li3 Th'
_chemical_name_systematic        'Trilithium thorium fluoride'
_space_group_IT_number           130
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  '-P 4a 2ac'
_symmetry_space_group_name_H-M   'P 4/n c c :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.24774(8)
_cell_length_b                   6.24774(8)
_cell_length_c                   13.0604(2)
_cell_volume                     509.8
_refine_ls_R_factor_all          0.03
_cod_original_sg_symbol_H-M      'P 4/n c c Z'
_cod_database_code               1000368
Cationic substitutions in the "2201-1201" intergrowth Hg Tl2 Ba4 Cu2 O10
Goutenoire, F; Hervieu, M; Martin, C; Maignan, A; Michel, C; Letouze, F; Raveau, B; Chemistry of Materials (1,1989- 6 (1994) 1654–1658; doi:10.1021/cm00046a017

data_1000369
_publ_section_title
;
Cationic substitutions in the "2201-1201" intergrowth Hg Tl2 Ba4 Cu2 O10
;
_journal_coden_ASTM              CMATEX
_journal_name_full               'Chemistry of Materials (1,1989-'
_journal_page_first              1654
_journal_page_last               1658
_journal_paper_doi               10.1021/cm00046a017
_journal_volume                  6
_journal_year                    1994
_chemical_formula_structural     'Hg Tl2 Ba3 Sr Cu2 O10'
_chemical_formula_sum            'Ba3 Cu2 Hg O10 Sr Tl2'
_chemical_name_systematic
;
Mercury dithallium(III) tribarium strontium dicopper 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                   3.8289(1)
_cell_length_b                   3.8289(1)
_cell_length_c                   41.75699(100)
_cell_volume                     612.2
_refine_ls_R_factor_all          0.075
_cod_database_code               1000369
The crystal structure of the binuclear fluorocompound Cs3 Ga2 F9
de Kozak, A; Mary, Y; Gredin, P; Renaudin, J; Ferey, G; Babel, D; European Journal of Solid State Inorganic Chemistry 31 (1994) 115–122; doi:

data_1000370
_publ_section_title
;
The crystal structure of the binuclear fluorocompound Cs3 Ga2 F9
;
_journal_coden_ASTM              EJSCE5
_journal_name_full
;
European Journal of Solid State Inorganic Chemistry
;
_journal_page_first              115
_journal_page_last               122
_journal_volume                  31
_journal_year                    1994
_chemical_formula_structural     'Cs3 (Ga2 F9)'
_chemical_formula_sum            'Cs3 F9 Ga2'
_chemical_name_systematic        'Tricaesium nonafluorodigallate'
_space_group_IT_number           185
_symmetry_cell_setting           hexagonal
_symmetry_Int_Tables_number      185
_symmetry_space_group_name_Hall  'P 6c -2'
_symmetry_space_group_name_H-M   'P 63 c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            6
_cell_length_a                   10.945(2)
_cell_length_b                   10.945(2)
_cell_length_c                   14.756(4)
_cell_volume                     1530.8
_refine_ls_R_factor_all          0.03
_cod_database_code               1000370
Crystal structure of the heptamolybdate(VI) (paramolybdate) (N H3)3 (Pd (N H3)4)3 Mo7 O24
Laligant, Y; European Journal of Solid State Inorganic Chemistry 31 (1994) 211–222; doi:

data_1000371
_publ_section_title
;
Crystal structure of the heptamolybdate(VI) (paramolybdate) (N H3)3 (Pd
(N H3)4)3 Mo7 O24
;
_journal_coden_ASTM              EJSCE5
_journal_name_full
;
European Journal of Solid State Inorganic Chemistry
;
_journal_page_first              211
_journal_page_last               222
_journal_volume                  31
_journal_year                    1994
_chemical_formula_structural     '(N H3)3 (Pd (N H3)4)3 (Mo7 O24)'
_chemical_formula_sum            'H45 Mo7 N15 O24 Pd3'
_chemical_name_systematic
;
Triammonia tris(tetraamminepalladium) heptamolybdate(VI)
;
_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                 113.038(7)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.658(1)
_cell_length_b                   20.62799(200)
_cell_length_c                   17.55099(200)
_cell_volume                     3550.9
_refine_ls_R_factor_all          0.036
_cod_database_code               1000371
Synthesis, characterization and crystal structure of a new copper fluorocarbonate K Cu (C O3) F
Mercier, N; Leblanc, M; European Journal of Solid State Inorganic Chemistry 31 (1994) 423–430; doi:

data_1000372
_publ_section_title
;
Synthesis, characterization and crystal structure of a new copper
fluorocarbonate K Cu (C O3) F
;
_journal_coden_ASTM              EJSCE5
_journal_name_full
;
European Journal of Solid State Inorganic Chemistry
;
_journal_page_first              423
_journal_page_last               430
_journal_volume                  31
_journal_year                    1994
_chemical_formula_structural     'K Cu (C O3) F'
_chemical_formula_sum            'C Cu F K O3'
_chemical_name_systematic        'Potassium copper carbonate fluoride'
_space_group_IT_number           26
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      26
_symmetry_space_group_name_Hall  'P 2c -2'
_symmetry_space_group_name_H-M   'P m c 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   3.972(1)
_cell_length_b                   5.038(2)
_cell_length_c                   9.005(5)
_cell_volume                     180.2
_refine_ls_R_factor_all          0.021
_cod_original_formula_sum        'Cu F K O3'
_cod_database_code               1000372
Synthesis and crystal structure of Na V O2 F2
Crosnier-Lopez, M - P; Duroy, H; Fourquet, J - L; Abrabri, M; European Journal of Solid State Inorganic Chemistry 31 (1994) 957–965; doi:

data_1000373
_publ_section_title
;
Synthesis and crystal structure of Na V O2 F2
;
_journal_coden_ASTM              EJSCE5
_journal_name_full
;
European Journal of Solid State Inorganic Chemistry
;
_journal_page_first              957
_journal_page_last               965
_journal_volume                  31
_journal_year                    1994
_chemical_formula_structural     'Na V O2 F2'
_chemical_formula_sum            'F2 Na O2 V'
_chemical_name_systematic        'Sodium vanadium dioxide difluoride'
_space_group_IT_number           4
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      4
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_cell_angle_alpha                90
_cell_angle_beta                 110.29(1)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   6.399(1)
_cell_length_b                   3.590(1)
_cell_length_c                   7.220(2)
_cell_volume                     155.6
_refine_ls_R_factor_all          0.027
_cod_database_code               1000373
Ba7 Fe6 F32 . 2(H2 O): original isolated trimers (Fe3 F16)(7-) in a new defective jarlite-type compound
Crosnier-Lopez, M P; Calage, Y; Duroy, H; Fourquet, J L; Zeitschrift fuer Anorganische und Allgemeine Chemie 621 (1995) 1025–1032; doi:10.1002/zaac.19956210622

data_1000374
_publ_section_title
;
Ba7 Fe6 F32 . 2(H2 O): original isolated trimers (Fe3 F16)(7-) in a new
defective jarlite-type compound
;
_journal_coden_ASTM              ZAACAB
_journal_name_full
;
Zeitschrift fuer Anorganische und Allgemeine Chemie
;
_journal_page_first              1025
_journal_page_last               1032
_journal_paper_doi               10.1002/zaac.19956210622
_journal_volume                  621
_journal_year                    1995
_chemical_formula_structural     'Ba7 (Fe6 (F26.7 (O H)5.3)) (H2 O)2'
_chemical_formula_sum            'Ba7 F26.7 Fe6 H9.3 O7.3'
_chemical_name_systematic
;
Barium iron fluoride hydroxide hydrate (7/6/26.7/5.3/2)
;
_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                 101.48(1)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   17.036(2)
_cell_length_b                   11.489(1)
_cell_length_c                   7.620(2)
_cell_volume                     1461.6
_refine_ls_R_factor_all          0.032
_cod_original_formula_sum        'H9.3 Ba7 F26.7 Fe6 O7.3'
_cod_database_code               1000374
Ba7 Fe6 F32 . 2(H2 O): original isolated trimers (Fe3 F16)(7-) in a new defective jarlite-type compound
Crosnier-Lopez, M P; Calage, Y; Duroy, H; Fourquet, J L; Zeitschrift fuer Anorganische und Allgemeine Chemie 621 (1995) 1025–1032; doi:10.1002/zaac.19956210622

data_1000375
_publ_section_title
;
Ba7 Fe6 F32 . 2(H2 O): original isolated trimers (Fe3 F16)(7-) in a new
defective jarlite-type compound
;
_journal_coden_ASTM              ZAACAB
_journal_name_full
;
Zeitschrift fuer Anorganische und Allgemeine Chemie
;
_journal_page_first              1025
_journal_page_last               1032
_journal_paper_doi               10.1002/zaac.19956210622
_journal_volume                  621
_journal_year                    1995
_chemical_formula_structural     'Ba7 (Fe3 F16)2 (H2 O)2'
_chemical_formula_sum            'Ba7 F32 Fe6 H4 O2'
_chemical_name_systematic
;
Heptabarium bis(16-fluorotriferrate(III)) dihydrate
;
_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                 101.13(1)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   17.02299(100)
_cell_length_b                   11.482(1)
_cell_length_c                   7.624(1)
_cell_volume                     1462.1
_refine_ls_R_factor_all          0.023
_cod_original_formula_sum        'H4 Ba7 F32 Fe6 O2'
_cod_database_code               1000375
_cod_depositor_comments
;
 Removing dummy H atoms since the hydrogen atoms they represent are already
 marked using the _atom_site_attached_hydrogens data item.

 Antanas Vaitkus,
 2017-09-11
;
The crystal structure of Pb8 Fe(II) Fe(III)2 F24: an ordered fluorite- like compound
Pierrard, A; de Kozak, A; Gredin, P; Renaudin, J; Zeitschrift fuer Anorganische und Allgemeine Chemie 621 (1995) 1053–1057; doi:10.1002/zaac.19956210627

data_1000376
_publ_section_title
;
The crystal structure of Pb8 Fe(II) Fe(III)2 F24: an ordered fluorite-
like compound
;
_journal_coden_ASTM              ZAACAB
_journal_name_full
;
Zeitschrift fuer Anorganische und Allgemeine Chemie
;
_journal_page_first              1053
_journal_page_last               1057
_journal_paper_doi               10.1002/zaac.19956210627
_journal_volume                  621
_journal_year                    1995
_chemical_formula_structural     'Pb8 Fe3 F24'
_chemical_formula_sum            'F24 Fe3 Pb8'
_chemical_name_systematic        'Octalead iron diiron(III) fluoride'
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1 (1/2*x+1/2*y,1/2*x-1/2*y,-z)'
_symmetry_space_group_name_H-M   'C -1'
_cell_angle_alpha                89.75(2)
_cell_angle_beta                 105.79(2)
_cell_angle_gamma                89.38(2)
_cell_formula_units_Z            2
_cell_length_a                   20.118(3)
_cell_length_b                   5.597(1)
_cell_length_c                   9.440(2)
_cell_volume                     1022.7
_refine_ls_R_factor_all          0.048
_cod_database_code               1000376
Crystal structure of (N H4) (Ga2 (P O4)2(O H)(H2 O)),(H2 O), isotypic with ALPO4-15
Loiseau, T; Ferey, G; European Journal of Solid State Inorganic Chemistry 31 (1994) 575–581; doi:

data_1000377
_publ_section_title
;
Crystal structure of (N H4) (Ga2 (P O4)2(O H)(H2 O)),(H2 O), isotypic
with ALPO4-15
;
_journal_coden_ASTM              EJSCE5
_journal_name_full
;
European Journal of Solid State Inorganic Chemistry
;
_journal_page_first              575
_journal_page_last               581
_journal_volume                  31
_journal_year                    1994
_chemical_formula_structural     '(N H4) (Ga2 (P O4)2 (O H) (H2 O)) (H2 O)'
_chemical_formula_sum            'Ga2 H9 N O11 P2'
_chemical_name_systematic
;
Ammonium aquahydroxobis(phosphato)digallate hydrate
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 102.78(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.689(1)
_cell_length_b                   9.703(1)
_cell_length_c                   9.788(1)
_cell_volume                     897.4
_refine_ls_R_factor_all          0.025
_cod_original_formula_sum        'H9 Ga2 N O11 P2'
_cod_database_code               1000377
Room-temperature crystal structure of the layered phase Cu(I) In(III) P2 S6
Maisonneuve, V; Evain, M; Payen, C; Cajipe, V B; Molinie, P; Journal of Alloys Compd. 218 (1995) 157–164; doi:10.1016/0925-8388(94)01416-7

data_1000378
_publ_section_title
;
Room-temperature crystal structure of the layered phase Cu(I) In(III)
P2 S6
;
_journal_coden_ASTM              JALCEU
_journal_name_full               'Journal of Alloys Compd.'
_journal_page_first              157
_journal_page_last               164
_journal_paper_doi               10.1016/0925-8388(94)01416-7
_journal_volume                  218
_journal_year                    1995
_chemical_formula_analytical     'Cu In (P2 O6)'
_chemical_formula_structural     'Cu0.975 In (P2 S6)'
_chemical_formula_sum            'Cu0.975 In P2 S6'
_chemical_name_systematic
;
Copper indium hexathiodiphosphate(IV) (1/1/1)
;
_space_group_IT_number           9
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      9
_symmetry_space_group_name_Hall  'C -2yc'
_symmetry_space_group_name_H-M   'C 1 c 1'
_cell_angle_alpha                90
_cell_angle_beta                 107.101(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.0956(4)
_cell_length_b                   10.5645(6)
_cell_length_c                   13.6230(8)
_cell_volume                     838.5
_exptl_crystal_density_meas      3.4
_refine_ls_R_factor_all          0.051
_cod_original_formula_sum        'Cu.975 In P2 S6'
_cod_database_code               1000378
Chemical twinning of the rock salt structure: Ca Tl2 O4 and Ca2 Tl2 O5, the first two members of the new series Can Tl2 On+3
Goutenoire, F; Caignaert, V; Hervieu, M; Michel, C; Raveau, B; Journal of Solid State Chemistry 114 (1995) 428–434; doi:10.1006/jssc.1995.1065

data_1000379
_publ_section_title
;
Chemical twinning of the rock salt structure: Ca Tl2 O4 and Ca2 Tl2 O5,
the first two members of the new series Can Tl2 On+3
;
_journal_coden_ASTM              JSSCBI
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              428
_journal_page_last               434
_journal_paper_doi               10.1006/jssc.1995.1065
_journal_volume                  114
_journal_year                    1995
_chemical_formula_structural     'Ca (Tl2 O4)'
_chemical_formula_sum            'Ca O4 Tl2'
_chemical_name_systematic        'Calcium dithallate'
_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                   3.3255(1)
_cell_length_b                   11.022(1)
_cell_length_c                   10.479(1)
_cell_volume                     384.1
_refine_ls_R_factor_all          0.09
_cod_database_code               1000379
Chemical twinning of the rock salt structure: Ca Tl2 O4 and Ca2 Tl2O5, the first two members of the new series Can Tl2 On+3
Goutenoire, F; Caignaert, V; Hervieu, M; Michel, C; Raveau, B; Journal of Solid State Chemistry 114 (1995) 428–434; doi:10.1006/jssc.1995.1065

data_1000380
_publ_section_title
;
Chemical twinning of the rock salt structure: Ca Tl2 O4 and Ca2 Tl2O5,
the first two members of the new series Can Tl2 On+3
;
_journal_coden_ASTM              JSSCBI
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              428
_journal_page_last               434
_journal_paper_doi               10.1006/jssc.1995.1065
_journal_volume                  114
_journal_year                    1995
_chemical_formula_structural     'Ca1.88 Tl2.12 O5'
_chemical_formula_sum            'Ca1.88 O5 Tl2.12'
_chemical_name_systematic        'Calcium thallium oxide (1.9/2.1/5)'
_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                   3.3431(1)
_cell_length_b                   11.159(1)
_cell_length_c                   13.499(1)
_cell_volume                     503.6
_refine_ls_R_factor_all          0.079
_cod_database_code               1000380