# generated using pymatgen data_ZrO2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.07932247 _cell_length_b 8.07932247 _cell_length_c 5.02963387 _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 'Zr10 O20' _cell_volume 328.31162212 _cell_formula_units_Z 10 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 0.07544133 0.88246232 0.75401964 1.0 Zr Zr1 1 0.11753768 0.57544133 0.24598036 1.0 Zr Zr2 1 0.25000000 0.25000000 0.81923190 1.0 Zr Zr3 1 0.38246232 0.92455867 0.24598036 1.0 Zr Zr4 1 0.42455867 0.61753768 0.75401964 1.0 Zr Zr5 1 0.57544133 0.38246232 0.24598036 1.0 Zr Zr6 1 0.61753768 0.07544133 0.75401964 1.0 Zr Zr7 1 0.75000000 0.75000000 0.18076810 1.0 Zr Zr8 1 0.88246232 0.42455867 0.75401964 1.0 Zr Zr9 1 0.92455867 0.11753768 0.24598036 1.0 O O10 1 0.04577105 0.14057327 0.61224102 1.0 O O11 1 0.04316844 0.33922786 0.07602076 1.0 O O12 1 0.14057327 0.45422895 0.61224102 1.0 O O13 1 0.16077214 0.04316844 0.07602076 1.0 O O14 1 0.25000000 0.75000000 0.50000000 1.0 O O15 1 0.25000000 0.75000000 -0.00000000 1.0 O O16 1 0.33922786 0.45683156 0.07602076 1.0 O O17 1 0.35942673 0.04577105 0.61224102 1.0 O O18 1 0.45683156 0.16077214 0.07602076 1.0 O O19 1 0.45422895 0.35942673 0.61224102 1.0 O O20 1 0.54577105 0.64057327 0.38775898 1.0 O O21 1 0.54316844 0.83922786 0.92397924 1.0 O O22 1 0.64057327 0.95422895 0.38775898 1.0 O O23 1 0.66077214 0.54316844 0.92397924 1.0 O O24 1 0.75000000 0.25000000 0.50000000 1.0 O O25 1 0.75000000 0.25000000 -0.00000000 1.0 O O26 1 0.83922786 0.95683156 0.92397924 1.0 O O27 1 0.85942673 0.54577105 0.38775898 1.0 O O28 1 0.95683156 0.66077214 0.92397924 1.0 O O29 1 0.95422895 0.85942673 0.38775898 1.0