# generated using pymatgen data_Hf11Zr5(Ir2O)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.72655356 _cell_length_b 8.72655347 _cell_length_c 8.71271384 _cell_angle_alpha 60.05244801 _cell_angle_beta 60.05244837 _cell_angle_gamma 60.00339498 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf11Zr5(Ir2O)4 _chemical_formula_sum 'Hf11 Zr5 Ir8 O4' _cell_volume 469.54687908 _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 Hf Hf0 1 0.10935375 0.62865558 0.63099533 1.0 Hf Hf1 1 0.62865558 0.10935375 0.63099533 1.0 Hf Hf2 1 0.63189507 0.63189507 0.10431046 1.0 Hf Hf3 1 0.63189507 0.63189507 0.63189940 1.0 Hf Hf4 1 0.81221098 0.81221098 0.18778902 1.0 Hf Hf5 1 0.18538844 0.18538844 0.81461156 1.0 Hf Hf6 1 0.81057032 0.18820875 0.81263194 1.0 Hf Hf7 1 0.18820875 0.81057032 0.18858900 1.0 Hf Hf8 1 0.18820875 0.81057032 0.81263194 1.0 Hf Hf9 1 0.81057032 0.18820875 0.18858900 1.0 Hf Hf10 1 0.43653257 0.43653257 0.06346743 1.0 Zr Zr11 1 0.06230752 0.06230752 0.43769248 1.0 Zr Zr12 1 0.43520345 0.06403694 0.43582246 1.0 Zr Zr13 1 0.06403694 0.43520345 0.06493714 1.0 Zr Zr14 1 0.06403694 0.43520345 0.43582246 1.0 Zr Zr15 1 0.43520345 0.06403694 0.06493714 1.0 Ir Ir16 1 0.75646313 0.41606765 0.41373461 1.0 Ir Ir17 1 0.41606765 0.75646313 0.41373461 1.0 Ir Ir18 1 0.41550235 0.41550235 0.76023082 1.0 Ir Ir19 1 0.41550235 0.41550235 0.40876349 1.0 Ir Ir20 1 0.44868090 0.85154821 0.84988545 1.0 Ir Ir21 1 0.85154821 0.44868090 0.84988545 1.0 Ir Ir22 1 0.85095152 0.85095152 0.45022429 1.0 Ir Ir23 1 0.85095152 0.85095152 0.84787366 1.0 O O24 1 0.62870280 0.12678200 0.12225760 1.0 O O25 1 0.12678200 0.62870280 0.12225760 1.0 O O26 1 0.12228234 0.12228234 0.63215761 1.0 O O27 1 0.12228234 0.12228234 0.12327671 1.0