# generated using pymatgen data_Bi2PdO4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.57130481 _cell_length_b 8.57130481 _cell_length_c 5.98628831 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Bi2PdO4 _chemical_formula_sum 'Bi8 Pd4 O16' _cell_volume 439.79623650 _cell_formula_units_Z 4 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 Bi Bi0 1 0.32964478 0.67035522 0.75000000 1.0 Bi Bi1 1 0.17035522 0.17035522 0.75000000 1.0 Bi Bi2 1 0.82964478 0.82964478 0.75000000 1.0 Bi Bi3 1 0.67035522 0.32964478 0.75000000 1.0 Bi Bi4 1 0.17035522 0.82964478 0.25000000 1.0 Bi Bi5 1 0.32964478 0.32964478 0.25000000 1.0 Bi Bi6 1 0.67035522 0.67035522 0.25000000 1.0 Bi Bi7 1 0.82964478 0.17035522 0.25000000 1.0 Pd Pd8 1 0.00000000 0.50000000 0.58131621 1.0 Pd Pd9 1 0.50000000 -0.00000000 0.91868379 1.0 Pd Pd10 1 0.50000000 -0.00000000 0.41868379 1.0 Pd Pd11 1 0.00000000 0.50000000 0.08131621 1.0 O O12 1 0.21132408 0.39446453 0.58966081 1.0 O O13 1 0.78867592 0.60553547 0.58966081 1.0 O O14 1 0.10553547 0.71132408 0.58966081 1.0 O O15 1 0.89446453 0.28867592 0.58966081 1.0 O O16 1 0.39446453 0.21132408 0.91033919 1.0 O O17 1 0.71132408 0.10553547 0.91033919 1.0 O O18 1 0.28867592 0.89446453 0.91033919 1.0 O O19 1 0.60553547 0.78867592 0.91033919 1.0 O O20 1 0.28867592 0.10553547 0.41033919 1.0 O O21 1 0.71132408 0.89446453 0.41033919 1.0 O O22 1 0.39446453 0.78867592 0.41033919 1.0 O O23 1 0.60553547 0.21132408 0.41033919 1.0 O O24 1 0.89446453 0.71132408 0.08966081 1.0 O O25 1 0.21132408 0.60553547 0.08966081 1.0 O O26 1 0.78867592 0.39446453 0.08966081 1.0 O O27 1 0.10553547 0.28867592 0.08966081 1.0