# generated using pymatgen data_CuPtO2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.24309578 _cell_length_b 5.24248553 _cell_length_c 4.25286329 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00364629 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CuPtO2 _chemical_formula_sum 'Cu2 Pt2 O4' _cell_volume 94.60225695 _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 Cu Cu0 1 -0.00000000 -0.00000000 0.50000000 1.0 Cu Cu1 1 -0.00000000 0.50000000 -0.00000000 1.0 Pt Pt2 1 0.50000000 0.50000000 0.50000000 1.0 Pt Pt3 1 0.50000000 -0.00000000 -0.00000000 1.0 O O4 1 0.76446767 0.75001748 0.25000268 1.0 O O5 1 0.76446767 0.24998252 0.25000268 1.0 O O6 1 0.23553233 0.75001748 0.74999732 1.0 O O7 1 0.23553233 0.24998252 0.74999732 1.0