# generated using pymatgen data_Pr12Os(PtBr4)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.64554284 _cell_length_b 10.51779171 _cell_length_c 10.51779210 _cell_angle_alpha 109.22386875 _cell_angle_beta 109.71746074 _cell_angle_gamma 109.71745130 _symmetry_Int_Tables_number 1 _chemical_formula_structural Pr12Os(PtBr4)3 _chemical_formula_sum 'Pr12 Os1 Pt3 Br12' _cell_volume 903.78735184 _cell_formula_units_Z 1 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 Pr Pr0 1 0.47105930 0.49131799 0.23255557 1.0 Pr Pr1 1 0.75000000 0.23582233 0.26417767 1.0 Pr Pr2 1 0.75000000 0.01489749 0.48510251 1.0 Pr Pr3 1 0.23510251 0.47020503 0.48510251 1.0 Pr Pr4 1 0.26149627 0.74123757 0.23255557 1.0 Pr Pr5 1 0.02894070 0.26744443 0.00868201 1.0 Pr Pr6 1 0.01417767 0.02835434 0.26417767 1.0 Pr Pr7 1 0.47974131 0.74123757 0.00868201 1.0 Pr Pr8 1 0.48582233 0.23582233 0.47164566 1.0 Pr Pr9 1 0.02025869 0.49131799 0.75876243 1.0 Pr Pr10 1 0.26489749 0.01489749 0.02979497 1.0 Pr Pr11 1 0.23850373 0.26744443 0.75876243 1.0 Os Os12 1 0.25000000 0.50000000 0.00000000 1.0 Pt Pt13 1 0.25000000 0.25031178 0.24968822 1.0 Pt Pt14 1 0.49968822 0.99937645 0.24968822 1.0 Pt Pt15 1 0.00031178 0.25031178 0.50062355 1.0 Br Br16 1 0.25000000 0.75633889 0.74366111 1.0 Br Br17 1 0.50973610 0.50323761 0.75302477 1.0 Br Br18 1 0.99026390 0.74697523 0.99676239 1.0 Br Br19 1 0.74328867 0.24978715 0.75302477 1.0 Br Br20 1 0.99366111 0.98732221 0.74366111 1.0 Br Br21 1 0.25000000 0.99610531 0.50389469 1.0 Br Br22 1 0.75389469 0.50778938 0.50389469 1.0 Br Br23 1 0.50649848 0.24978715 0.99676239 1.0 Br Br24 1 0.75671133 0.74697523 0.25021285 1.0 Br Br25 1 0.74610531 0.99610531 0.99221062 1.0 Br Br26 1 0.99350152 0.50323761 0.25021285 1.0 Br Br27 1 0.50633889 0.75633889 0.51267779 1.0