# generated using pymatgen data_Hf5Zr3(Ir2O)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.72897337 _cell_length_b 8.72897347 _cell_length_c 8.72897264 _cell_angle_alpha 59.99999942 _cell_angle_beta 59.99999903 _cell_angle_gamma 59.99999760 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf5Zr3(Ir2O)2 _chemical_formula_sum 'Hf10 Zr6 Ir8 O4' _cell_volume 470.29944197 _cell_formula_units_Z 2 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 Hf Hf0 1 0.10678191 0.63107270 0.63107270 1.0 Hf Hf1 1 0.63107270 0.10678191 0.63107270 1.0 Hf Hf2 1 0.63107270 0.63107270 0.10678191 1.0 Hf Hf3 1 0.63107270 0.63107270 0.63107270 1.0 Hf Hf4 1 0.81227697 0.81227697 0.18772303 1.0 Hf Hf5 1 0.18772303 0.18772303 0.81227697 1.0 Hf Hf6 1 0.81227697 0.18772303 0.81227697 1.0 Hf Hf7 1 0.18772303 0.81227697 0.18772303 1.0 Hf Hf8 1 0.18772303 0.81227697 0.81227697 1.0 Hf Hf9 1 0.81227697 0.18772303 0.18772303 1.0 Zr Zr10 1 0.43618805 0.43618805 0.06381195 1.0 Zr Zr11 1 0.06381195 0.06381195 0.43618805 1.0 Zr Zr12 1 0.43618805 0.06381195 0.43618805 1.0 Zr Zr13 1 0.06381195 0.43618805 0.06381195 1.0 Zr Zr14 1 0.06381195 0.43618805 0.43618805 1.0 Zr Zr15 1 0.43618805 0.06381195 0.06381195 1.0 Ir Ir16 1 0.75726430 0.41424490 0.41424490 1.0 Ir Ir17 1 0.41424490 0.75726430 0.41424490 1.0 Ir Ir18 1 0.41424490 0.41424490 0.75726430 1.0 Ir Ir19 1 0.41424490 0.41424490 0.41424490 1.0 Ir Ir20 1 0.44946092 0.85017969 0.85017969 1.0 Ir Ir21 1 0.85017969 0.44946092 0.85017969 1.0 Ir Ir22 1 0.85017969 0.85017969 0.44946092 1.0 Ir Ir23 1 0.85017969 0.85017969 0.85017969 1.0 O O24 1 0.63180137 0.12273288 0.12273288 1.0 O O25 1 0.12273288 0.63180137 0.12273288 1.0 O O26 1 0.12273288 0.12273288 0.63180137 1.0 O O27 1 0.12273288 0.12273288 0.12273288 1.0