# generated using pymatgen data_ZrSc3Pt2O _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.76936697 _cell_length_b 8.76936671 _cell_length_c 8.76936731 _cell_angle_alpha 59.99999775 _cell_angle_beta 59.99999872 _cell_angle_gamma 59.99999603 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrSc3Pt2O _chemical_formula_sum 'Zr4 Sc12 Pt8 O4' _cell_volume 476.85870445 _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 Zr Zr0 1 0.12500000 0.62500000 0.62500000 1.0 Zr Zr1 1 0.62500000 0.12500000 0.62500000 1.0 Zr Zr2 1 0.62500000 0.62500000 0.12500000 1.0 Zr Zr3 1 0.62500000 0.62500000 0.62500000 1.0 Sc Sc4 1 0.81868805 0.81868805 0.18131195 1.0 Sc Sc5 1 0.18131195 0.18131195 0.81868805 1.0 Sc Sc6 1 0.81868805 0.18131195 0.81868805 1.0 Sc Sc7 1 0.18131195 0.81868805 0.18131195 1.0 Sc Sc8 1 0.18131195 0.81868805 0.81868805 1.0 Sc Sc9 1 0.81868805 0.18131195 0.18131195 1.0 Sc Sc10 1 0.43131195 0.43131195 0.06868805 1.0 Sc Sc11 1 0.06868805 0.06868805 0.43131195 1.0 Sc Sc12 1 0.43131195 0.06868805 0.43131195 1.0 Sc Sc13 1 0.06868805 0.43131195 0.06868805 1.0 Sc Sc14 1 0.06868805 0.43131195 0.43131195 1.0 Sc Sc15 1 0.43131195 0.06868805 0.06868805 1.0 Pt Pt16 1 0.77476762 0.40841079 0.40841079 1.0 Pt Pt17 1 0.40841079 0.77476762 0.40841079 1.0 Pt Pt18 1 0.40841079 0.40841079 0.77476762 1.0 Pt Pt19 1 0.40841079 0.40841079 0.40841079 1.0 Pt Pt20 1 0.47523238 0.84158921 0.84158921 1.0 Pt Pt21 1 0.84158921 0.47523238 0.84158921 1.0 Pt Pt22 1 0.84158921 0.84158921 0.47523238 1.0 Pt Pt23 1 0.84158921 0.84158921 0.84158921 1.0 O O24 1 0.62500000 0.12500000 0.12500000 1.0 O O25 1 0.12500000 0.62500000 0.12500000 1.0 O O26 1 0.12500000 0.12500000 0.62500000 1.0 O O27 1 0.12500000 0.12500000 0.12500000 1.0