# generated using pymatgen data_Hf6Al16Cu2Ir5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.58145469 _cell_length_b 8.67547633 _cell_length_c 8.58144079 _cell_angle_alpha 59.64084948 _cell_angle_beta 60.73215347 _cell_angle_gamma 59.64069552 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf6Al16Cu2Ir5 _chemical_formula_sum 'Hf6 Al16 Cu2 Ir5' _cell_volume 451.68803329 _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 0.69359131 0.30640370 0.30640497 1.0 Hf Hf1 1 0.30640869 0.69359630 0.69359503 1.0 Hf Hf2 1 0.32773279 0.67225166 0.32773279 1.0 Hf Hf3 1 0.67226721 0.32774834 0.67226721 1.0 Hf Hf4 1 0.30640597 0.30640370 0.69359031 1.0 Hf Hf5 1 0.69359403 0.69359630 0.30640969 1.0 Al Al6 1 0.33747631 0.33022129 0.33747631 1.0 Al Al7 1 0.66252369 0.66977871 0.66252369 1.0 Al Al8 1 0.33023074 0.33747958 0.99482316 1.0 Al Al9 1 0.33749488 0.99479193 0.33749488 1.0 Al Al10 1 0.66976926 0.66252042 0.00517684 1.0 Al Al11 1 0.66250512 0.00520807 0.66250512 1.0 Al Al12 1 0.99482316 0.33747958 0.33023074 1.0 Al Al13 1 0.00517684 0.66252042 0.66976926 1.0 Al Al14 1 0.12357873 0.11182019 0.12357873 1.0 Al Al15 1 0.87642127 0.88817981 0.87642127 1.0 Al Al16 1 0.11184479 0.12357620 0.64098891 1.0 Al Al17 1 0.12358755 0.64098300 0.12358755 1.0 Al Al18 1 0.88815521 0.87642380 0.35901109 1.0 Al Al19 1 0.87641245 0.35901700 0.87641245 1.0 Al Al20 1 0.64098891 0.12357620 0.11184579 1.0 Al Al21 1 0.35901109 0.87642380 0.88815421 1.0 Cu Cu22 1 0.00000000 0.50000000 0.00000000 1.0 Cu Cu23 1 0.50000000 0.00000000 0.50000000 1.0 Ir Ir24 1 0.50000000 0.00000000 0.00000000 1.0 Ir Ir25 1 0.00000000 0.50000000 0.50000000 1.0 Ir Ir26 1 0.00000000 0.00000000 0.50000000 1.0 Ir Ir27 1 0.50000000 0.50000000 0.00000000 1.0 Ir Ir28 1 0.00000000 0.00000000 0.00000000 1.0