# generated using pymatgen data_BaP4Pt12Pb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.51542001 _cell_length_b 8.56539433 _cell_length_c 8.57870383 _cell_angle_alpha 90.00000000 _cell_angle_beta 89.90470607 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaP4Pt12Pb _chemical_formula_sum 'Ba2 P8 Pt24 Pb2' _cell_volume 625.71203680 _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 0.50000000 0.50000000 0.00000000 1.0 Ba Ba1 1 0.50000000 0.00000000 0.50000000 1.0 P P2 1 0.80688712 0.30883383 0.20040251 1.0 P P3 1 0.19311288 0.80883383 0.29959749 1.0 P P4 1 0.69324240 0.69856489 0.69263188 1.0 P P5 1 0.30675760 0.19856489 0.80736812 1.0 P P6 1 0.19311288 0.69116617 0.79959749 1.0 P P7 1 0.80688712 0.19116617 0.70040251 1.0 P P8 1 0.30675760 0.30143511 0.30736812 1.0 P P9 1 0.69324240 0.80143511 0.19263188 1.0 Pt Pt10 1 0.42478158 0.84258219 0.15344107 1.0 Pt Pt11 1 0.57521842 0.34258219 0.34655893 1.0 Pt Pt12 1 0.08436628 0.14988010 0.65998667 1.0 Pt Pt13 1 0.91563372 0.64988010 0.84001333 1.0 Pt Pt14 1 0.14940081 0.42327158 0.83699158 1.0 Pt Pt15 1 0.33328799 0.57997667 0.34706721 1.0 Pt Pt16 1 0.66671201 0.07997667 0.15293279 1.0 Pt Pt17 1 0.85059919 0.92327158 0.66300842 1.0 Pt Pt18 1 0.84945946 0.16673862 0.42802924 1.0 Pt Pt19 1 0.33736649 0.34984072 0.57873191 1.0 Pt Pt20 1 0.15054054 0.66673862 0.07197076 1.0 Pt Pt21 1 0.66263351 0.84984072 0.92126809 1.0 Pt Pt22 1 0.57521842 0.15741781 0.84655893 1.0 Pt Pt23 1 0.42478158 0.65741781 0.65344107 1.0 Pt Pt24 1 0.91563372 0.85011990 0.34001333 1.0 Pt Pt25 1 0.08436628 0.35011990 0.15998667 1.0 Pt Pt26 1 0.85059919 0.57672842 0.16300842 1.0 Pt Pt27 1 0.66671201 0.42002333 0.65293279 1.0 Pt Pt28 1 0.33328799 0.92002333 0.84706721 1.0 Pt Pt29 1 0.14940081 0.07672842 0.33699158 1.0 Pt Pt30 1 0.15054054 0.83326138 0.57197076 1.0 Pt Pt31 1 0.66263351 0.65015928 0.42126809 1.0 Pt Pt32 1 0.84945946 0.33326138 0.92802924 1.0 Pt Pt33 1 0.33736649 0.15015928 0.07873191 1.0 Pb Pb34 1 0.00000000 0.50000000 0.50000000 1.0 Pb Pb35 1 0.00000000 0.00000000 0.00000000 1.0