# generated using pymatgen data_ZrO2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.21635077 _cell_length_b 5.21884202 _cell_length_c 5.31038101 _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 'Zr8 O16' _cell_volume 283.13634937 _cell_formula_units_Z 8 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 0.13815356 0.54093797 0.84118113 1.0 Zr Zr1 1 0.13815356 0.95906203 0.34118113 1.0 Zr Zr2 1 0.36184644 0.45906203 0.34118113 1.0 Zr Zr3 1 0.36184644 0.04093797 0.84118113 1.0 Zr Zr4 1 0.63815356 0.95906203 0.15881887 1.0 Zr Zr5 1 0.63815356 0.54093797 0.65881887 1.0 Zr Zr6 1 0.86184644 0.45906203 0.15881887 1.0 Zr Zr7 1 0.86184644 0.04093797 0.65881887 1.0 O O8 1 0.03380397 0.83463440 0.66986895 1.0 O O9 1 0.03380397 0.66536560 0.16986895 1.0 O O10 1 0.22457427 0.24891431 0.08711387 1.0 O O11 1 0.22457427 0.25108569 0.58711387 1.0 O O12 1 0.27542573 0.74891431 0.08711387 1.0 O O13 1 0.27542573 0.75108569 0.58711387 1.0 O O14 1 0.46619603 0.16536560 0.16986895 1.0 O O15 1 0.46619603 0.33463440 0.66986895 1.0 O O16 1 0.53380397 0.66536560 0.33013105 1.0 O O17 1 0.53380397 0.83463440 0.83013105 1.0 O O18 1 0.72457427 0.24891431 0.41288613 1.0 O O19 1 0.72457427 0.25108569 0.91288613 1.0 O O20 1 0.77542573 0.74891431 0.41288613 1.0 O O21 1 0.77542573 0.75108569 0.91288613 1.0 O O22 1 0.96619603 0.16536560 0.33013105 1.0 O O23 1 0.96619603 0.33463440 0.83013105 1.0