# generated using pymatgen data_ZnIr5O12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.51049399 _cell_length_b 4.51049403 _cell_length_c 9.49439347 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 89.55720726 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZnIr5O12 _chemical_formula_sum 'Zn1 Ir5 O12' _cell_volume 193.15345338 _cell_formula_units_Z 1 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 Zn Zn0 1 0.00000000 0.00000000 0.00000000 1.0 Ir Ir1 1 0.00000000 0.00000000 0.33176172 1.0 Ir Ir2 1 0.00000000 0.00000000 0.66823828 1.0 Ir Ir3 1 0.50000000 0.50000000 0.50000000 1.0 Ir Ir4 1 0.50000000 0.50000000 0.83409836 1.0 Ir Ir5 1 0.50000000 0.50000000 0.16590164 1.0 O O6 1 0.30831171 0.30831171 0.33380829 1.0 O O7 1 0.30831171 0.30831171 0.66619171 1.0 O O8 1 0.69168829 0.69168829 0.33380829 1.0 O O9 1 0.69168829 0.69168829 0.66619171 1.0 O O10 1 0.19203456 0.80796544 0.50000000 1.0 O O11 1 0.19652597 0.80347403 0.82948009 1.0 O O12 1 0.19652597 0.80347403 0.17051991 1.0 O O13 1 0.31449652 0.31449652 0.00000000 1.0 O O14 1 0.68550348 0.68550348 0.00000000 1.0 O O15 1 0.80347403 0.19652597 0.17051991 1.0 O O16 1 0.80347403 0.19652597 0.82948009 1.0 O O17 1 0.80796544 0.19203456 0.50000000 1.0