LMucko/crystallography-open-database huggingface dataset:
New complex sulfides of the Va-metals : Preparation and crystal structure of Na3VS4 (with a note on the crystal structure of the low temperature modofication of Na3PO4
Klepp, K. O.; Gabl, G.; European Journal of Solid State and Inorganic Chemistry 34 (1997) 1143–1154; doi:

data_4030895
_publ_section_title
;
 New complex sulfides of the Va-metals : Preparation and crystal structure
 of Na3VS4 (with a note on the crystal structure of the low temperature
 modofication of Na3PO4
;
_journal_name_full
'European Journal of Solid State and Inorganic Chemistry'
_journal_page_first              1143
_journal_page_last               1154
_journal_volume                  34
_journal_year                    1997
_chemical_formula_sum            'Na3 S4 V'
_chemical_formula_weight         248.19
_space_group_IT_number           114
_symmetry_cell_setting           tetragonal
_symmetry_Int_Tables_number      114
_symmetry_space_group_name_Hall  'P -4 2n'
_symmetry_space_group_name_H-M   'P -4 21 c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   13.502(1)
_cell_length_b                   13.502(1)
_cell_length_c                   7.9504(8)
_cell_volume                     1449.4(2)
_diffrn_ambient_temperature      293
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    2.581
_exptl_crystal_density_diffrn    2.275
_exptl_crystal_F_000             960
_refine_ls_goodness_of_fit_ref   0.89
_refine_ls_number_parameters     75
_refine_ls_number_reflns         746
_refine_ls_R_factor_gt           0.017
_refine_ls_wR_factor_gt          0.015
_cod_data_source_file            EJSSIC-1997-34-1143-1154.cif
_cod_data_source_block           Na3VS4
_cod_original_cell_volume        1449.4(3)
_cod_database_code               4030895
Preparation and crystal structure of Na3CuSnSe4. A novel selenostannate(IV) with a layered structure
Klepp, K. O.; Fabian, F.; European Journal of Solid State and Inorganic Chemistry 34 (1997) 1155–1163; doi:

data_4030896
_publ_section_title
;
 Preparation and crystal structure of Na3CuSnSe4. A novel
 selenostannate(IV) with a layered structure
;
_journal_name_full
'European Journal of Solid State and Inorganic Chemistry'
_journal_page_first              1155
_journal_page_last               1163
_journal_volume                  34
_journal_year                    1997
_chemical_formula_sum            'Cu Na3 Se4 Sn'
_chemical_formula_weight         567.07
_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                 90.39(4)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.805(5)
_cell_length_b                   10.226(2)
_cell_length_c                   13.03(1)
_cell_volume                     906.7(10)
_diffrn_ambient_temperature      293
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    21.210
_exptl_crystal_density_diffrn    4.154
_exptl_crystal_F_000             992
_refine_ls_number_parameters     83
_refine_ls_number_reflns         1384
_refine_ls_R_factor_gt           0.039
_refine_ls_wR_factor_gt          0.039
_cod_data_source_file            EJSSIC-1997-34-1155-1163.cif
_cod_data_source_block           Na3CuSnSe4
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               4030896
Synthesis, crystal structure and optical absorptions of the two-dimensional sulfide NaCu2NbS4
Rumpf, C.; Nather, C.; Jeb, I.; Bensch, W.; European Journal of Solid State and Inorganic Chemistry 34 (1997) 1165–1177; doi:

data_4030897
_publ_section_title
;
 Synthesis, crystal structure and optical absorptions of the
 two-dimensional sulfide NaCu2NbS4
;
_journal_name_full
'European Journal of Solid State and Inorganic Chemistry'
_journal_page_first              1165
_journal_page_last               1177
_journal_volume                  34
_journal_year                    1997
_chemical_formula_sum            'Cu2 Na Nb S4'
_chemical_formula_weight         371.28
_space_group_IT_number           40
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      40
_symmetry_space_group_name_Hall  'A 2 -2a'
_symmetry_space_group_name_H-M   'A m a 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.451(1)
_cell_length_b                   18.416(4)
_cell_length_c                   5.542(1)
_cell_volume                     760.5(2)
_diffrn_ambient_temperature      293
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    8.066
_exptl_crystal_density_diffrn    3.243
_exptl_crystal_F_000             696
_refine_ls_number_parameters     46
_refine_ls_number_reflns         1669
_refine_ls_R_factor_gt           0.0289
_refine_ls_wR_factor_gt          0.0747
_cod_data_source_file            EJSSIC-1997-34-1165-1177-1.cif
_cod_data_source_block           NaCu2NbS4-293K
_cod_original_formula_sum        'Cu2 Na S4 Nb'
_cod_database_code               4030897
Synthesis, crystal structure and optical absorptions of the two-dimensional sulfide NaCu2NbS4
Rumpf, C.; Nather, C.; Jeb, I.; Bensch, W.; European Journal of Solid State and Inorganic Chemistry 34 (1997) 1165–1177; doi:

data_4030898
_publ_section_title
;
 Synthesis, crystal structure and optical absorptions of the
 two-dimensional sulfide NaCu2NbS4
;
_journal_name_full
'European Journal of Solid State and Inorganic Chemistry'
_journal_page_first              1165
_journal_page_last               1177
_journal_volume                  34
_journal_year                    1997
_chemical_formula_sum            'Cu2 Na Nb S4'
_chemical_formula_weight         371.28
_space_group_IT_number           40
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      40
_symmetry_space_group_name_Hall  'A 2 -2a'
_symmetry_space_group_name_H-M   'A m a 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.406(2)
_cell_length_b                   18.313(4)
_cell_length_c                   5.522(2)
_cell_volume                     748.9(4)
_diffrn_ambient_temperature      150
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    8.19
_exptl_crystal_density_diffrn    3.293
_exptl_crystal_F_000             696
_refine_ls_number_parameters     46
_refine_ls_number_reflns         1585
_refine_ls_R_factor_gt           0.0347
_refine_ls_wR_factor_gt          0.0889
_cod_data_source_file            EJSSIC-1997-34-1165-1177-2.cif
_cod_data_source_block           NaCu2NbS4-150K
_cod_original_formula_sum        'Cu2 Na S4 Nb'
_cod_database_code               4030898
Synthesis, crystal structures and optical properties of new quaternary chalcogenides of Va metals : Rb2CuVS4, K2CuVSe4, Rb2CuNbSe4, Cs2CuNbSe4 and Rb2CuNbS4
Rumpf, C.; Tillinski, R.; Nather, C.; Durichen, P.; Jeb, I.; Bensch, W.; European Journal of Solid State and Inorganic Chemistry 34 (1997) 1187–1198; doi:

data_4030899
_publ_section_title
;
 Synthesis, crystal structures and optical properties of new quaternary
 chalcogenides of Va metals : Rb2CuVS4, K2CuVSe4, Rb2CuNbSe4, Cs2CuNbSe4
 and Rb2CuNbS4
;
_journal_name_full
'European Journal of Solid State and Inorganic Chemistry'
_journal_page_first              1187
_journal_page_last               1198
_journal_volume                  34
_journal_year                    1997
_chemical_formula_sum            'Cu Rb2 S4 V'
_chemical_formula_weight         413.71
_space_group_IT_number           70
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      70
_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                   5.448(1)
_cell_length_b                   13.310(2)
_cell_length_c                   23.431(4)
_cell_volume                     1699.0(5)
_diffrn_ambient_temperature      293
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    15.87
_exptl_crystal_density_diffrn    3.234
_exptl_crystal_F_000             1520
_refine_ls_goodness_of_fit_ref   1.004
_refine_ls_number_parameters     22
_refine_ls_number_reflns         456
_refine_ls_R_factor_gt           0.0217
_refine_ls_wR_factor_gt          0.0460
_cod_data_source_file            EJSSIC-1997-34-1187-1198-1.cif
_cod_data_source_block           Rb2CuVS4
_cod_original_cell_volume        1699.1(5)
_cod_original_sg_symbol_H-M      'F d d d'
_cod_database_code               4030899
Synthesis, crystal structures and optical properties of new quaternary chalcogenides of Va metals : Rb2CuVS4, K2CuVSe4, Rb2CuNbSe4, Cs2CuNbSe4 and Rb2CuNbS4
Rumpf, C.; Tillinski, R.; Nather, C.; Durichen, P.; Jeb, I.; Bensch, W.; European Journal of Solid State and Inorganic Chemistry 34 (1997) 1187–1198; doi:

data_4030900
_publ_section_title
;
 Synthesis, crystal structures and optical properties of new quaternary
 chalcogenides of Va metals : Rb2CuVS4, K2CuVSe4, Rb2CuNbSe4, Cs2CuNbSe4
 and Rb2CuNbS4
;
_journal_name_full
'European Journal of Solid State and Inorganic Chemistry'
_journal_page_first              1187
_journal_page_last               1198
_journal_volume                  34
_journal_year                    1997
_chemical_formula_sum            'Cu K2 Se4 V'
_chemical_formula_weight         508.524
_space_group_IT_number           70
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      70
_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                   5.6312(9)
_cell_length_b                   13.264(2)
_cell_length_c                   23.468(3)
_cell_volume                     1752.9(4)
_diffrn_ambient_temperature      293
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    20.96
_exptl_crystal_density_diffrn    3.854
_exptl_crystal_F_000             1808
_refine_ls_goodness_of_fit_ref   1.025
_refine_ls_number_parameters     22
_refine_ls_number_reflns         509
_refine_ls_R_factor_gt           0.0182
_refine_ls_wR_factor_gt          0.0431
_cod_data_source_file            EJSSIC-1997-34-1187-1198-2.cif
_cod_data_source_block           K2CuVSe4
_cod_original_sg_symbol_H-M      'F d d d'
_cod_database_code               4030900
Synthesis, crystal structures and optical properties of new quaternary chalcogenides of Va metals : Rb2CuVS4, K2CuVSe4, Rb2CuNbSe4, Cs2CuNbSe4 and Rb2CuNbS4
Rumpf, C.; Tillinski, R.; Nather, C.; Durichen, P.; Jeb, I.; Bensch, W.; European Journal of Solid State and Inorganic Chemistry 34 (1997) 1187–1198; doi:

data_4030901
_publ_section_title
;
 Synthesis, crystal structures and optical properties of new quaternary
 chalcogenides of Va metals : Rb2CuVS4, K2CuVSe4, Rb2CuNbSe4, Cs2CuNbSe4
 and Rb2CuNbS4
;
_journal_name_full
'European Journal of Solid State and Inorganic Chemistry'
_journal_page_first              1187
_journal_page_last               1198
_journal_volume                  34
_journal_year                    1997
_chemical_formula_sum            'Cu Nb Rb2 S4'
_chemical_formula_weight         455.648
_space_group_IT_number           70
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      70
_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                   5.5924(7)
_cell_length_b                   13.498(2)
_cell_length_c                   23.839(3)
_cell_volume                     1799.5(4)
_diffrn_ambient_temperature      293
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    15.22
_exptl_crystal_density_diffrn    3.364
_exptl_crystal_F_000             1664
_refine_ls_goodness_of_fit_ref   0.964
_refine_ls_number_parameters     22
_refine_ls_number_reflns         410
_refine_ls_R_factor_gt           0.0231
_refine_ls_wR_factor_gt          0.0513
_cod_data_source_file            EJSSIC-1997-34-1187-1198-3.cif
_cod_data_source_block           Rb2CuNbS4
_cod_original_sg_symbol_H-M      'F d d d'
_cod_database_code               4030901
Synthesis, crystal structures and optical properties of new quaternary chalcogenides of Va metals : Rb2CuVS4, K2CuVSe4, Rb2CuNbSe4, Cs2CuNbSe4 and Rb2CuNbS4
Rumpf, C.; Tillinski, R.; Nather, C.; Durichen, P.; Jeb, I.; Bensch, W.; European Journal of Solid State and Inorganic Chemistry 34 (1997) 1187–1198; doi:

data_4030902
_publ_section_title
;
 Synthesis, crystal structures and optical properties of new quaternary
 chalcogenides of Va metals : Rb2CuVS4, K2CuVSe4, Rb2CuNbSe4, Cs2CuNbSe4
 and Rb2CuNbS4
;
_journal_name_full
'European Journal of Solid State and Inorganic Chemistry'
_journal_page_first              1187
_journal_page_last               1198
_journal_volume                  34
_journal_year                    1997
_chemical_formula_sum            'Cu Nb Rb2 Se4'
_chemical_formula_weight         643.228
_space_group_IT_number           70
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      70
_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                   5.7796(3)
_cell_length_b                   13.887(2)
_cell_length_c                   24.609(2)
_cell_volume                     1975.2(3)
_diffrn_ambient_temperature      293
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    27.77
_exptl_crystal_density_diffrn    4.326
_exptl_crystal_F_000             2240
_refine_ls_goodness_of_fit_ref   1.005
_refine_ls_number_parameters     22
_refine_ls_number_reflns         525
_refine_ls_R_factor_gt           0.0194
_refine_ls_wR_factor_gt          0.0399
_cod_data_source_file            EJSSIC-1997-34-1187-1198-4.cif
_cod_data_source_block           Rb2CuNbSe4
_cod_original_sg_symbol_H-M      'F d d d'
_cod_database_code               4030902
Synthesis, crystal structures and optical properties of new quaternary chalcogenides of Va metals : Rb2CuVS4, K2CuVSe4, Rb2CuNbSe4, Cs2CuNbSe4 and Rb2CuNbS4
Rumpf, C.; Tillinski, R.; Nather, C.; Durichen, P.; Jeb, I.; Bensch, W.; European Journal of Solid State and Inorganic Chemistry 34 (1997) 1187–1198; doi:

data_4030903
_publ_section_title
;
 Synthesis, crystal structures and optical properties of new quaternary
 chalcogenides of Va metals : Rb2CuVS4, K2CuVSe4, Rb2CuNbSe4, Cs2CuNbSe4
 and Rb2CuNbS4
;
_journal_name_full
'European Journal of Solid State and Inorganic Chemistry'
_journal_page_first              1187
_journal_page_last               1198
_journal_volume                  34
_journal_year                    1997
_chemical_formula_sum            'Cs2 Cu Nb Se4'
_chemical_formula_weight         738.103
_space_group_IT_number           70
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      70
_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                   5.8041(5)
_cell_length_b                   14.486(2)
_cell_length_c                   25.418(2)
_cell_volume                     2137.1(4)
_diffrn_ambient_temperature      293
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    23.33
_exptl_crystal_density_diffrn    4.588
_exptl_crystal_F_000             2528
_refine_ls_goodness_of_fit_ref   0.973
_refine_ls_number_parameters     22
_refine_ls_number_reflns         544
_refine_ls_R_factor_gt           0.0246
_refine_ls_wR_factor_gt          0.0675
_cod_data_source_file            EJSSIC-1997-34-1187-1198-5.cif
_cod_data_source_block           Cs2CuNbSe4
_cod_original_cell_volume        2137.1
_cod_original_sg_symbol_H-M      'F d d d'
_cod_database_code               4030903
Synthesis and characterization of the molybdotellurates : [M(H2O)6]3.[TeMo6O24] : M = Ni(II) and Co(II)
Lorenzo-Luis, P. A.; Martin-Zarza, P.; Gili, P.; Saez Puche, R.; Jimenez-Jimenez, J.; Rodriguez-Castellon, E.; Ruiz-Perez, C.; Gonzalez-Platas, J.; Solans, X.; European Journal of Solid State and Inorganic Chemistry 34 (1997) 1259–1271; doi:

data_4030904
_publ_section_title
;
 Synthesis and characterization of the molybdotellurates :
 [M(H2O)6]3.[TeMo6O24] : M = Ni(II) and Co(II)
;
_journal_name_full
'European Journal of Solid State and Inorganic Chemistry'
_journal_page_first              1259
_journal_page_last               1271
_journal_volume                  34
_journal_year                    1997
_chemical_formula_sum            'H36 Mo6 Ni3 O42 Te'
_chemical_formula_weight         1587.67
_space_group_IT_number           167
_symmetry_cell_setting           trigonal
_symmetry_Int_Tables_number      167
_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                   17.906(5)
_cell_length_b                   17.906(5)
_cell_length_c                   19.458(5)
_cell_volume                     5403(3)
_diffrn_ambient_temperature      293
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    25.66
_exptl_crystal_density_diffrn    2.86
_exptl_crystal_F_000             4344
_refine_ls_goodness_of_fit_ref   1.394
_refine_ls_number_parameters     74
_refine_ls_number_reflns         798
_refine_ls_R_factor_gt           0.0547
_refine_ls_wR_factor_gt          0.1417
_cod_data_source_file            EJSSIC-1997-34-1259-1271-1.cif
_cod_data_source_block           Ni3Mo6
_cod_original_cell_volume        5403(4)
_cod_original_sg_symbol_H-M      'R -3 c'
_cod_database_code               4030904
Synthesis and characterization of the molybdotellurates : [M(H2O)6]3.[TeMo6O24] : M = Ni(II) and Co(II)
Lorenzo-Luis, P. A.; Martin-Zarza, P.; Gili, P.; Saez Puche, R.; Jimenez-Jimenez, J.; Rodriguez-Castellon, E.; Ruiz-Perez, C.; Gonzalez-Platas, J.; Solans, X.; European Journal of Solid State and Inorganic Chemistry 34 (1997) 1259–1271; doi:

data_4030905
_publ_section_title
;
 Synthesis and characterization of the molybdotellurates :
 [M(H2O)6]3.[TeMo6O24] : M = Ni(II) and Co(II)
;
_journal_name_full
'European Journal of Solid State and Inorganic Chemistry'
_journal_page_first              1259
_journal_page_last               1271
_journal_volume                  34
_journal_year                    1997
_chemical_formula_sum            'Co3 H36 Mo6 O42 Te'
_chemical_formula_weight         1588.39
_space_group_IT_number           167
_symmetry_cell_setting           trigonal
_symmetry_Int_Tables_number      167
_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                   17.902(4)
_cell_length_b                   17.902(4)
_cell_length_c                   19.686(3)
_cell_volume                     5463.8(19)
_diffrn_ambient_temperature      293
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.5418
_exptl_crystal_density_diffrn    2.80
_exptl_crystal_F_000             4326
_pd_proc_ls_prof_wR_factor       0.0406
_refine_ls_number_parameters     41
_refine_ls_number_reflns         314
_refine_ls_R_I_factor            0.0744
_cod_data_source_file            EJSSIC-1997-34-1259-1271-2.cif
_cod_data_source_block           Co3Mo6
_cod_depositor_comments
;
Rietveld refinements, Fullprof software
;
_cod_original_cell_volume        5464(3)
_cod_original_sg_symbol_H-M      'R -3 c'
_cod_original_formula_sum        'H36 Co3 Mo6 O42 Te'
_cod_database_code               4030905
The crystal structure of a complex barium, aluminium, copper(II) fluoride: Ba~4~Cu~2~Al~3~F~21~
Dupont, N.; Samouël, M.; Gredin, P.; de Kozak, A.; European Journal of Solid State and Inorganic Chemistry 35 (1998) 39–47; doi:10.1016/S0992-4361(98)80013-1

data_4030906
_publ_section_title
;
 The crystal structure of a complex barium, aluminium, copper(II) fluoride:
 Ba~4~Cu~2~Al~3~F~21~
;
_journal_coden_ASTM              EJSCE5
_journal_issue                   1
_journal_name_full
;
 European Journal of Solid State and Inorganic Chemistry
;
_journal_page_first              39
_journal_page_last               47
_journal_paper_doi               10.1016/S0992-4361(98)80013-1
_journal_volume                  35
_journal_year                    1998
_chemical_formula_sum            'Al3 Ba4 Cu2 F21'
_chemical_formula_weight         1156.36
_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                   5.299(1)
_cell_length_b                   7.318(1)
_cell_length_c                   41.529(7)
_cell_volume                     1610.4(5)
_diffrn_ambient_temperature      293
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    12.6
_exptl_crystal_density_diffrn    4.77
_exptl_crystal_F_000             2040
_refine_ls_number_parameters     272
_refine_ls_number_reflns         3698
_refine_ls_R_factor_gt           0.042
_refine_ls_wR_factor_gt          0.124
_cod_data_source_file            EJSSIC-1998-35-39-47.cif
_cod_data_source_block           Ba4Cu2Al3F21
_cod_database_code               4030906