# generated using pymatgen data_ZrO2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.38795400 _cell_length_b 5.63273600 _cell_length_c 6.58922100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrO2 _chemical_formula_sum 'Zr4 O8' _cell_volume 125.74507254 _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 0.25000000 0.25153700 0.60841600 1.0 Zr Zr1 1 0.75000000 0.74846300 0.39158400 1.0 Zr Zr2 1 0.25000000 0.75153700 0.89158400 1.0 Zr Zr3 1 0.75000000 0.24846300 0.10841600 1.0 O O4 1 0.75000000 0.47802200 0.84076300 1.0 O O5 1 0.25000000 0.52197800 0.15923700 1.0 O O6 1 0.75000000 0.97802200 0.65923700 1.0 O O7 1 0.25000000 0.02197800 0.34076300 1.0 O O8 1 0.75000000 0.36073700 0.42349800 1.0 O O9 1 0.25000000 0.63926300 0.57650200 1.0 O O10 1 0.75000000 0.86073700 0.07650200 1.0 O O11 1 0.25000000 0.13926300 0.92349800 1.0