# generated using pymatgen data_Hf6Al9(SiIr)7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.51397318 _cell_length_b 8.54784774 _cell_length_c 8.54784803 _cell_angle_alpha 59.99999886 _cell_angle_beta 59.86829696 _cell_angle_gamma 59.86830004 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf6Al9(SiIr)7 _chemical_formula_sum 'Hf6 Al9 Si7 Ir7' _cell_volume 438.99890415 _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 0.69014334 0.30974588 0.30974588 1.0 Hf Hf1 1 0.31073806 0.68942538 0.68942538 1.0 Hf Hf2 1 0.31073806 0.68942538 0.31041018 1.0 Hf Hf3 1 0.69014334 0.30974588 0.69036489 1.0 Hf Hf4 1 0.31073806 0.31041018 0.68942538 1.0 Hf Hf5 1 0.69014334 0.69036489 0.30974588 1.0 Al Al6 1 0.00141762 0.66619446 0.66619446 1.0 Al Al7 1 0.12029467 0.12061831 0.12061831 1.0 Al Al8 1 0.88266094 0.88002777 0.88002777 1.0 Al Al9 1 0.12029467 0.12061831 0.63846871 1.0 Al Al10 1 0.12029467 0.63846871 0.12061831 1.0 Al Al11 1 0.88266094 0.88002777 0.35728352 1.0 Al Al12 1 0.88266094 0.35728352 0.88002777 1.0 Al Al13 1 0.63798036 0.12067288 0.12067288 1.0 Al Al14 1 0.36068787 0.87977104 0.87977104 1.0 Si Si15 1 0.34431029 0.34476029 0.34476029 1.0 Si Si16 1 0.66245567 0.65930838 0.65930838 1.0 Si Si17 1 0.34431029 0.34476029 0.96616913 1.0 Si Si18 1 0.34431029 0.96616913 0.34476029 1.0 Si Si19 1 0.66245567 0.65930838 0.01892758 1.0 Si Si20 1 0.66245567 0.01892758 0.65930838 1.0 Si Si21 1 0.96508350 0.34497183 0.34497183 1.0 Ir Ir22 1 0.49856663 0.00176314 0.00176314 1.0 Ir Ir23 1 0.00217942 0.49499800 0.49499800 1.0 Ir Ir24 1 0.00217942 0.49499800 0.00782458 1.0 Ir Ir25 1 0.49856663 0.00176314 0.49790808 1.0 Ir Ir26 1 0.00217942 0.00782458 0.49499800 1.0 Ir Ir27 1 0.49856663 0.49790808 0.00176314 1.0 Ir Ir28 1 0.00078259 0.99973880 0.99973880 1.0