# generated using pymatgen data_ZrO2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.47490963 _cell_length_b 10.37387436 _cell_length_c 3.79293296 _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 136.72869387 _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 0.11925454 0.25005037 1.0 Zr Zr1 1 0.25000000 0.61925454 0.24994963 1.0 Zr Zr2 1 0.75000000 0.88074546 0.74994963 1.0 Zr Zr3 1 0.75000000 0.38074546 0.75005037 1.0 O O4 1 0.25000000 0.78437305 0.59873594 1.0 O O5 1 0.25000000 0.28437305 0.90126406 1.0 O O6 1 0.25000000 0.52650349 0.74006622 1.0 O O7 1 0.25000000 0.02650349 0.75993378 1.0 O O8 1 0.75000000 0.47349651 0.25993378 1.0 O O9 1 0.75000000 0.97349651 0.24006622 1.0 O O10 1 0.75000000 0.21562695 0.40126406 1.0 O O11 1 0.75000000 0.71562695 0.09873594 1.0