# generated using pymatgen data_Hf4Si6Ir7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.95411776 _cell_length_b 6.95411825 _cell_length_c 6.95411730 _cell_angle_alpha 109.47121500 _cell_angle_beta 109.47121644 _cell_angle_gamma 109.47122339 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf4Si6Ir7 _chemical_formula_sum 'Hf4 Si6 Ir7' _cell_volume 258.88343981 _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 0.50000000 0.50000000 0.50000000 1.0 Hf Hf1 1 0.00000000 0.00000000 0.50000000 1.0 Hf Hf2 1 0.00000000 0.50000000 0.00000000 1.0 Hf Hf3 1 0.50000000 0.00000000 0.00000000 1.0 Si Si4 1 1.00000000 0.31881392 0.31881392 1.0 Si Si5 1 0.31881392 1.00000000 0.31881392 1.0 Si Si6 1 0.31881392 0.31881392 1.00000000 1.0 Si Si7 1 0.00000000 0.68118608 0.68118608 1.0 Si Si8 1 0.68118608 0.00000000 0.68118608 1.0 Si Si9 1 0.68118608 0.68118608 0.00000000 1.0 Ir Ir10 1 0.50000000 0.75000000 0.25000000 1.0 Ir Ir11 1 0.25000000 0.50000000 0.75000000 1.0 Ir Ir12 1 0.75000000 0.25000000 0.50000000 1.0 Ir Ir13 1 0.75000000 0.50000000 0.25000000 1.0 Ir Ir14 1 0.50000000 0.25000000 0.75000000 1.0 Ir Ir15 1 0.25000000 0.75000000 0.50000000 1.0 Ir Ir16 1 0.00000000 0.00000000 0.00000000 1.0