# generated using pymatgen data_Ba2(PtO3)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.19750796 _cell_length_b 8.19750804 _cell_length_c 8.19750706 _cell_angle_alpha 109.47122058 _cell_angle_beta 109.47122079 _cell_angle_gamma 109.47121691 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba2(PtO3)3 _chemical_formula_sum 'Ba4 Pt6 O18' _cell_volume 424.05640401 _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 0.00000000 0.00000000 0.37023705 1.0 Ba Ba1 1 1.00000000 0.37023705 1.00000000 1.0 Ba Ba2 1 0.62976295 0.62976295 0.62976295 1.0 Ba Ba3 1 0.37023705 1.00000000 1.00000000 1.0 Pt Pt4 1 0.34282838 0.50000000 0.84282838 1.0 Pt Pt5 1 0.84282838 0.34282838 0.50000000 1.0 Pt Pt6 1 0.50000000 0.15717162 0.65717162 1.0 Pt Pt7 1 0.15717162 0.65717162 0.50000000 1.0 Pt Pt8 1 0.50000000 0.84282838 0.34282838 1.0 Pt Pt9 1 0.65717162 0.50000000 0.15717162 1.0 O O10 1 0.35751350 1.00000000 0.35751350 1.0 O O11 1 0.35751350 0.35751350 1.00000000 1.0 O O12 1 0.00000000 0.64248650 0.64248650 1.0 O O13 1 0.64248650 0.64248650 0.00000000 1.0 O O14 1 1.00000000 0.35751350 0.35751350 1.0 O O15 1 0.64248650 0.00000000 0.64248650 1.0 O O16 1 0.35888715 0.31312962 0.62827925 1.0 O O17 1 0.04575553 0.31514963 0.68687038 1.0 O O18 1 0.73060689 0.37172075 0.68485037 1.0 O O19 1 0.37172075 0.68485037 0.73060689 1.0 O O20 1 0.26939311 0.95424447 0.64111285 1.0 O O21 1 0.62827925 0.35888715 0.31312962 1.0 O O22 1 0.31312962 0.62827925 0.35888715 1.0 O O23 1 0.68687038 0.04575553 0.31514963 1.0 O O24 1 0.95424447 0.64111285 0.26939311 1.0 O O25 1 0.68485037 0.73060689 0.37172075 1.0 O O26 1 0.64111285 0.26939311 0.95424447 1.0 O O27 1 0.31514963 0.68687038 0.04575553 1.0