# generated using pymatgen data_Zr6PPtO2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.83165982 _cell_length_b 5.83165909 _cell_length_c 8.62416689 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 145.69557279 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr6PPtO2 _chemical_formula_sum 'Zr6 P1 Pt1 O2' _cell_volume 165.29687688 _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 Zr Zr0 1 0.36059688 0.63940412 0.06967959 1.0 Zr Zr1 1 0.06938496 0.93061604 0.25000000 1.0 Zr Zr2 1 0.36059688 0.63940412 0.43032041 1.0 Zr Zr3 1 0.63592626 0.36407474 0.54569703 1.0 Zr Zr4 1 0.94480030 0.05520070 0.75000000 1.0 Zr Zr5 1 0.63592626 0.36407474 0.95430297 1.0 P P6 1 0.74467848 0.25532152 0.25000000 1.0 Pt Pt7 1 0.25170832 0.74829168 0.75000000 1.0 O O8 1 0.99819233 0.00180767 0.00090108 1.0 O O9 1 0.99819233 0.00180767 0.49909892 1.0