# generated using pymatgen data_Ba2CaTa5O15 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.18738907 _cell_length_b 9.18738982 _cell_length_c 3.97475662 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 111.53102371 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba2CaTa5O15 _chemical_formula_sum 'Ba2 Ca1 Ta5 O15' _cell_volume 312.09009967 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ba Ba0 1 0.29913513 0.70086487 0.00000000 1.0 Ba Ba1 1 0.70086487 0.29913513 0.00000000 1.0 Ca Ca2 1 0.00000000 0.00000000 0.00000000 1.0 Ta Ta3 1 0.31473738 0.05929508 0.50000000 1.0 Ta Ta4 1 0.05929508 0.31473738 0.50000000 1.0 Ta Ta5 1 0.68526262 0.94070492 0.50000000 1.0 Ta Ta6 1 0.94070492 0.68526262 0.50000000 1.0 Ta Ta7 1 0.50000000 0.50000000 0.50000000 1.0 O O8 1 0.13332676 0.13332676 0.50000000 1.0 O O9 1 0.16815882 0.83184118 0.50000000 1.0 O O10 1 0.27423633 0.46626678 0.50000000 1.0 O O11 1 0.83184118 0.16815882 0.50000000 1.0 O O12 1 0.86667324 0.86667324 0.50000000 1.0 O O13 1 0.29906772 0.04592447 0.00000000 1.0 O O14 1 0.70093228 0.95407553 0.00000000 1.0 O O15 1 0.53373322 0.72576367 0.50000000 1.0 O O16 1 0.04592447 0.29906772 0.00000000 1.0 O O17 1 0.50000000 0.00000000 0.50000000 1.0 O O18 1 0.46626678 0.27423633 0.50000000 1.0 O O19 1 0.95407553 0.70093228 0.00000000 1.0 O O20 1 0.50000000 0.50000000 0.00000000 1.0 O O21 1 0.72576367 0.53373322 0.50000000 1.0 O O22 1 0.00000000 0.50000000 0.50000000 1.0