# generated using pymatgen data_Ba(PPt3)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.59805652 _cell_length_b 8.59805652 _cell_length_c 8.59805652 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba(PPt3)2 _chemical_formula_sum 'Ba4 P8 Pt24' _cell_volume 635.62487897 _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 0.80513776 0.30513776 0.19486224 1.0 P P5 1 0.19486224 0.80513776 0.30513776 1.0 P P6 1 0.69486224 0.69486224 0.69486224 1.0 P P7 1 0.30513776 0.19486224 0.80513776 1.0 P P8 1 0.19486224 0.69486224 0.80513776 1.0 P P9 1 0.80513776 0.19486224 0.69486224 1.0 P P10 1 0.30513776 0.30513776 0.30513776 1.0 P P11 1 0.69486224 0.80513776 0.19486224 1.0 Pt Pt12 1 0.42183742 0.84242038 0.15477886 1.0 Pt Pt13 1 0.57816258 0.34242038 0.34522114 1.0 Pt Pt14 1 0.07816258 0.15757962 0.65477886 1.0 Pt Pt15 1 0.92183742 0.65757962 0.84522114 1.0 Pt Pt16 1 0.15477886 0.42183742 0.84242038 1.0 Pt Pt17 1 0.34522114 0.57816258 0.34242038 1.0 Pt Pt18 1 0.65477886 0.07816258 0.15757962 1.0 Pt Pt19 1 0.84522114 0.92183742 0.65757962 1.0 Pt Pt20 1 0.84242038 0.15477886 0.42183742 1.0 Pt Pt21 1 0.34242038 0.34522114 0.57816258 1.0 Pt Pt22 1 0.15757962 0.65477886 0.07816258 1.0 Pt Pt23 1 0.65757962 0.84522114 0.92183742 1.0 Pt Pt24 1 0.57816258 0.15757962 0.84522114 1.0 Pt Pt25 1 0.42183742 0.65757962 0.65477886 1.0 Pt Pt26 1 0.92183742 0.84242038 0.34522114 1.0 Pt Pt27 1 0.07816258 0.34242038 0.15477886 1.0 Pt Pt28 1 0.84522114 0.57816258 0.15757962 1.0 Pt Pt29 1 0.65477886 0.42183742 0.65757962 1.0 Pt Pt30 1 0.34522114 0.92183742 0.84242038 1.0 Pt Pt31 1 0.15477886 0.07816258 0.34242038 1.0 Pt Pt32 1 0.15757962 0.84522114 0.57816258 1.0 Pt Pt33 1 0.65757962 0.65477886 0.42183742 1.0 Pt Pt34 1 0.84242038 0.34522114 0.92183742 1.0 Pt Pt35 1 0.34242038 0.15477886 0.07816258 1.0