# generated using pymatgen data_Hf5Ir3O _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.94906687 _cell_length_b 7.94906693 _cell_length_c 5.43415801 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999974 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf5Ir3O _chemical_formula_sum 'Hf10 Ir6 O2' _cell_volume 297.36866228 _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 0.23955181 0.00000000 0.75000000 1.0 Hf Hf1 1 0.76044819 0.00000000 0.25000000 1.0 Hf Hf2 1 0.00000000 0.23955181 0.75000000 1.0 Hf Hf3 1 1.00000000 0.76044819 0.25000000 1.0 Hf Hf4 1 0.76044819 0.76044819 0.75000000 1.0 Hf Hf5 1 0.23955181 0.23955181 0.25000000 1.0 Hf Hf6 1 0.33333300 0.66666700 0.50000000 1.0 Hf Hf7 1 0.66666700 0.33333300 0.50000000 1.0 Hf Hf8 1 0.66666700 0.33333300 0.00000000 1.0 Hf Hf9 1 0.33333300 0.66666700 0.00000000 1.0 Ir Ir10 1 0.59573291 0.00000000 0.75000000 1.0 Ir Ir11 1 0.40426709 0.00000000 0.25000000 1.0 Ir Ir12 1 1.00000000 0.59573291 0.75000000 1.0 Ir Ir13 1 0.00000000 0.40426709 0.25000000 1.0 Ir Ir14 1 0.40426709 0.40426709 0.75000000 1.0 Ir Ir15 1 0.59573291 0.59573291 0.25000000 1.0 O O16 1 0.00000000 0.00000000 0.50000000 1.0 O O17 1 0.00000000 0.00000000 0.00000000 1.0