# generated using pymatgen data_ZrO2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.61613100 _cell_length_b 3.67026200 _cell_length_c 67.48696000 _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 'Zr24 O48' _cell_volume 895.69693444 _cell_formula_units_Z 24 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 0.50000000 0.00000000 0.83223500 1.0 Zr Zr1 1 0.50000000 0.00000000 0.75273500 1.0 Zr Zr2 1 0.50000000 0.00000000 0.67382700 1.0 Zr Zr3 1 0.50000000 0.00000000 0.59592900 1.0 Zr Zr4 1 0.50000000 0.00000000 0.51956000 1.0 Zr Zr5 1 0.50000000 0.00000000 0.44287100 1.0 Zr Zr6 1 0.50000000 0.00000000 0.36574700 1.0 Zr Zr7 1 0.50000000 0.00000000 0.28848800 1.0 Zr Zr8 1 0.50000000 0.00000000 0.20977300 1.0 Zr Zr9 1 0.50000000 0.00000000 0.13058100 1.0 Zr Zr10 1 0.50000000 0.00000000 0.05091500 1.0 Zr Zr11 1 0.00000000 0.50000000 0.94356200 1.0 Zr Zr12 1 0.00000000 0.50000000 0.79218200 1.0 Zr Zr13 1 0.00000000 0.50000000 0.87189700 1.0 Zr Zr14 1 0.00000000 0.50000000 0.63457000 1.0 Zr Zr15 1 0.00000000 0.50000000 0.71298100 1.0 Zr Zr16 1 0.00000000 0.50000000 0.48124400 1.0 Zr Zr17 1 0.00000000 0.50000000 0.55727700 1.0 Zr Zr18 1 0.00000000 0.50000000 0.32721300 1.0 Zr Zr19 1 0.00000000 0.50000000 0.40385300 1.0 Zr Zr20 1 0.00000000 0.50000000 0.17003000 1.0 Zr Zr21 1 0.00000000 0.50000000 0.24897600 1.0 Zr Zr22 1 0.00000000 0.50000000 0.01063200 1.0 Zr Zr23 1 0.00000000 0.50000000 0.09057500 1.0 O O24 1 0.00000000 0.00000000 0.93285900 1.0 O O25 1 0.00000000 0.00000000 0.85779800 1.0 O O26 1 0.00000000 0.00000000 0.81679300 1.0 O O27 1 0.00000000 0.00000000 0.77672500 1.0 O O28 1 0.00000000 0.00000000 0.73682800 1.0 O O29 1 0.00000000 0.00000000 0.69724100 1.0 O O30 1 0.00000000 0.00000000 0.65767800 1.0 O O31 1 0.00000000 0.00000000 0.61853900 1.0 O O32 1 0.00000000 0.00000000 0.57941200 1.0 O O33 1 0.00000000 0.00000000 0.54069500 1.0 O O34 1 0.00000000 0.00000000 0.46709700 1.0 O O35 1 0.00000000 0.00000000 0.38849000 1.0 O O36 1 0.00000000 0.00000000 0.42759200 1.0 O O37 1 0.00000000 0.00000000 0.31363100 1.0 O O38 1 0.00000000 0.00000000 0.27394000 1.0 O O39 1 0.00000000 0.00000000 0.23462400 1.0 O O40 1 0.00000000 0.00000000 0.19512400 1.0 O O41 1 0.00000000 0.00000000 0.15569600 1.0 O O42 1 0.00000000 0.00000000 0.11602200 1.0 O O43 1 0.00000000 0.00000000 0.07643800 1.0 O O44 1 0.00000000 0.00000000 0.03678300 1.0 O O45 1 0.00000000 0.00000000 0.99699300 1.0 O O46 1 0.50000000 0.50000000 0.98676700 1.0 O O47 1 0.50000000 0.50000000 0.96692100 1.0 O O48 1 0.50000000 0.50000000 0.92959200 1.0 O O49 1 0.50000000 0.50000000 0.84603500 1.0 O O50 1 0.50000000 0.50000000 0.88544300 1.0 O O51 1 0.50000000 0.50000000 0.80683100 1.0 O O52 1 0.50000000 0.50000000 0.64980200 1.0 O O53 1 0.50000000 0.50000000 0.76731400 1.0 O O54 1 0.50000000 0.50000000 0.68865100 1.0 O O55 1 0.50000000 0.50000000 0.72797200 1.0 O O56 1 0.50000000 0.50000000 0.45826700 1.0 O O57 1 0.50000000 0.50000000 0.49714900 1.0 O O58 1 0.50000000 0.50000000 0.61106900 1.0 O O59 1 0.50000000 0.50000000 0.53474600 1.0 O O60 1 0.50000000 0.50000000 0.30428000 1.0 O O61 1 0.50000000 0.50000000 0.57291200 1.0 O O62 1 0.50000000 0.50000000 0.34350300 1.0 O O63 1 0.50000000 0.50000000 0.38125300 1.0 O O64 1 0.50000000 0.50000000 0.22580500 1.0 O O65 1 0.50000000 0.50000000 0.14657900 1.0 O O66 1 0.50000000 0.50000000 0.41981000 1.0 O O67 1 0.50000000 0.50000000 0.18635200 1.0 O O68 1 0.50000000 0.50000000 0.06665200 1.0 O O69 1 0.50000000 0.50000000 0.26523800 1.0 O O70 1 0.50000000 0.50000000 0.02614100 1.0 O O71 1 0.50000000 0.50000000 0.10678800 1.0