# generated using pymatgen data_Na2ZrO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.61267079 _cell_length_b 5.61267079 _cell_length_c 11.03312248 _cell_angle_alpha 85.03736097 _cell_angle_beta 85.03736097 _cell_angle_gamma 120.06179335 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na2ZrO3 _chemical_formula_sum 'Na8 Zr4 O12' _cell_volume 296.26866752 _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 Na Na0 1 0.08460259 0.91539741 0.75000000 1.0 Na Na1 1 0.91539741 0.08460259 0.25000000 1.0 Na Na2 1 -0.00000000 0.50000000 -0.00000000 1.0 Na Na3 1 0.50000000 -0.00000000 0.50000000 1.0 Na Na4 1 0.15791580 0.31589616 0.49992714 1.0 Na Na5 1 0.68410384 0.84208420 0.00007286 1.0 Na Na6 1 0.84208420 0.68410384 0.50007286 1.0 Na Na7 1 0.31589616 0.15791580 -0.00007286 1.0 Zr Zr8 1 0.41779543 0.58220457 0.75000000 1.0 Zr Zr9 1 0.58220457 0.41779543 0.25000000 1.0 Zr Zr10 1 0.24969957 0.75030043 0.25000000 1.0 Zr Zr11 1 0.75030043 0.24969957 0.75000000 1.0 O O12 1 0.32019801 0.48935807 0.14395078 1.0 O O13 1 0.51064193 0.67980199 0.35604922 1.0 O O14 1 0.67980199 0.51064193 0.85604922 1.0 O O15 1 0.48935807 0.32019801 0.64395078 1.0 O O16 1 0.12053439 0.58151599 0.64421782 1.0 O O17 1 0.41848401 0.87946561 0.85578218 1.0 O O18 1 0.87946561 0.41848401 0.35578218 1.0 O O19 1 0.58151599 0.12053439 0.14421782 1.0 O O20 1 0.04803540 0.24699256 0.85752937 1.0 O O21 1 0.75300744 0.95196460 0.64247063 1.0 O O22 1 0.95196460 0.75300744 0.14247063 1.0 O O23 1 0.24699256 0.04803540 0.35752937 1.0