# generated using pymatgen data_Ba(PPd3)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.59245176 _cell_length_b 8.59245176 _cell_length_c 8.59245176 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba(PPd3)2 _chemical_formula_sum 'Ba4 P8 Pd24' _cell_volume 634.38266553 _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 Ba Ba0 1 0.50000000 0.50000000 0.00000000 1.0 Ba Ba1 1 0.50000000 0.00000000 0.50000000 1.0 Ba Ba2 1 0.00000000 0.50000000 0.50000000 1.0 Ba Ba3 1 0.00000000 0.00000000 0.00000000 1.0 P P4 1 0.80707065 0.30707065 0.19292935 1.0 P P5 1 0.19292935 0.80707065 0.30707065 1.0 P P6 1 0.69292935 0.69292935 0.69292935 1.0 P P7 1 0.30707065 0.19292935 0.80707065 1.0 P P8 1 0.19292935 0.69292935 0.80707065 1.0 P P9 1 0.80707065 0.19292935 0.69292935 1.0 P P10 1 0.30707065 0.30707065 0.30707065 1.0 P P11 1 0.69292935 0.80707065 0.19292935 1.0 Pd Pd12 1 0.42066202 0.84800875 0.16027562 1.0 Pd Pd13 1 0.57933798 0.34800875 0.33972438 1.0 Pd Pd14 1 0.07933798 0.15199125 0.66027562 1.0 Pd Pd15 1 0.92066202 0.65199125 0.83972438 1.0 Pd Pd16 1 0.16027562 0.42066202 0.84800875 1.0 Pd Pd17 1 0.33972438 0.57933798 0.34800875 1.0 Pd Pd18 1 0.66027562 0.07933798 0.15199125 1.0 Pd Pd19 1 0.83972438 0.92066202 0.65199125 1.0 Pd Pd20 1 0.84800875 0.16027562 0.42066202 1.0 Pd Pd21 1 0.34800875 0.33972438 0.57933798 1.0 Pd Pd22 1 0.15199125 0.66027562 0.07933798 1.0 Pd Pd23 1 0.65199125 0.83972438 0.92066202 1.0 Pd Pd24 1 0.57933798 0.15199125 0.83972438 1.0 Pd Pd25 1 0.42066202 0.65199125 0.66027562 1.0 Pd Pd26 1 0.92066202 0.84800875 0.33972438 1.0 Pd Pd27 1 0.07933798 0.34800875 0.16027562 1.0 Pd Pd28 1 0.83972438 0.57933798 0.15199125 1.0 Pd Pd29 1 0.66027562 0.42066202 0.65199125 1.0 Pd Pd30 1 0.33972438 0.92066202 0.84800875 1.0 Pd Pd31 1 0.16027562 0.07933798 0.34800875 1.0 Pd Pd32 1 0.15199125 0.83972438 0.57933798 1.0 Pd Pd33 1 0.65199125 0.66027562 0.42066202 1.0 Pd Pd34 1 0.84800875 0.33972438 0.92066202 1.0 Pd Pd35 1 0.34800875 0.16027562 0.07933798 1.0