# generated using pymatgen data_Ba5Ca2Ta3O15 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.46306662 _cell_length_b 10.46306662 _cell_length_c 10.46306662 _cell_angle_alpha 99.46828743 _cell_angle_beta 99.46828743 _cell_angle_gamma 132.14403222 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba5Ca2Ta3O15 _chemical_formula_sum 'Ba10 Ca4 Ta6 O30' _cell_volume 776.31453897 _cell_formula_units_Z 2 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 0.65371500 0.95270500 0.09948400 1.0 Ba Ba1 1 0.04729500 0.14677900 0.70101100 1.0 Ba Ba2 1 0.44576800 0.34628500 0.29898900 1.0 Ba Ba3 1 0.85322100 0.55423200 0.90051600 1.0 Ba Ba4 1 0.25000000 0.75000000 0.50000000 1.0 Ba Ba5 1 0.75000000 0.25000000 0.50000000 1.0 Ba Ba6 1 0.14677900 0.44576800 0.09948400 1.0 Ba Ba7 1 0.55423200 0.65371500 0.70101100 1.0 Ba Ba8 1 0.95270500 0.85322100 0.29898900 1.0 Ba Ba9 1 0.34628500 0.04729500 0.90051600 1.0 Ca Ca10 1 0.39901900 0.20152100 0.60054000 1.0 Ca Ca11 1 0.79847900 0.39901900 0.19749800 1.0 Ca Ca12 1 0.20152100 0.60098100 0.80250200 1.0 Ca Ca13 1 0.60098100 0.79847900 0.39946000 1.0 Ta Ta14 1 0.10059400 0.30348000 0.40407400 1.0 Ta Ta15 1 0.50000000 0.50000000 0.00000000 1.0 Ta Ta16 1 0.89940600 0.69652000 0.59592600 1.0 Ta Ta17 1 0.30348000 0.89940600 0.20288700 1.0 Ta Ta18 1 0.69652000 0.10059400 0.79711300 1.0 Ta Ta19 1 0.00000000 0.00000000 0.00000000 1.0 O O20 1 0.04146800 0.65946900 0.70093700 1.0 O O21 1 0.43870400 0.85549300 0.29419700 1.0 O O22 1 0.85885800 0.04682600 0.90568400 1.0 O O23 1 0.23601600 0.24691700 0.48293200 1.0 O O24 1 0.63787900 0.45362400 0.09150300 1.0 O O25 1 0.47546700 0.86519900 0.80521700 1.0 O O26 1 0.86519900 0.05998300 0.38973300 1.0 O O27 1 0.24641900 0.24641900 0.00000000 1.0 O O28 1 0.67025000 0.47546700 0.61026700 1.0 O O29 1 0.05998300 0.67025000 0.19478300 1.0 O O30 1 0.14450700 0.43870400 0.58321100 1.0 O O31 1 0.54637600 0.63787900 0.18425400 1.0 O O32 1 0.95317400 0.85885800 0.81203200 1.0 O O33 1 0.34053100 0.04146800 0.38199800 1.0 O O34 1 0.75308300 0.23601600 0.98909900 1.0 O O35 1 0.94001700 0.32975000 0.80521700 1.0 O O36 1 0.32975000 0.52453300 0.38973300 1.0 O O37 1 0.75358100 0.75358100 0.00000000 1.0 O O38 1 0.13480100 0.94001700 0.61026700 1.0 O O39 1 0.52453300 0.13480100 0.19478300 1.0 O O40 1 0.24691700 0.76398400 0.01090100 1.0 O O41 1 0.65946900 0.95853200 0.61800200 1.0 O O42 1 0.04682600 0.14114200 0.18796800 1.0 O O43 1 0.45362400 0.36212100 0.81574600 1.0 O O44 1 0.85549300 0.56129600 0.41678900 1.0 O O45 1 0.36212100 0.54637600 0.90849700 1.0 O O46 1 0.76398400 0.75308300 0.51706800 1.0 O O47 1 0.14114200 0.95317400 0.09431600 1.0 O O48 1 0.56129600 0.14450700 0.70580300 1.0 O O49 1 0.95853200 0.34053100 0.29906300 1.0