# generated using pymatgen data_Hf6Al16CuIr6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.61626577 _cell_length_b 8.61626595 _cell_length_c 8.63370825 _cell_angle_alpha 59.93300882 _cell_angle_beta 59.93300813 _cell_angle_gamma 60.57031756 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf6Al16CuIr6 _chemical_formula_sum 'Hf6 Al16 Cu1 Ir6' _cell_volume 454.68768446 _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 0.69113777 0.30886223 0.30888911 1.0 Hf Hf1 1 0.30886223 0.69113777 0.69111089 1.0 Hf Hf2 1 0.30886223 0.69113777 0.30888911 1.0 Hf Hf3 1 0.69113777 0.30886223 0.69111089 1.0 Hf Hf4 1 0.32693257 0.32693257 0.67306743 1.0 Hf Hf5 1 0.67306743 0.67306743 0.32693257 1.0 Al Al6 1 0.33797198 0.33797198 0.33221179 1.0 Al Al7 1 0.66202802 0.66202802 0.66778821 1.0 Al Al8 1 0.33797198 0.33797198 0.99184424 1.0 Al Al9 1 0.33503154 0.99006368 0.33745239 1.0 Al Al10 1 0.66202802 0.66202802 0.00815576 1.0 Al Al11 1 0.66496846 0.00993632 0.66254761 1.0 Al Al12 1 0.99006368 0.33503154 0.33745239 1.0 Al Al13 1 0.00993632 0.66496846 0.66254761 1.0 Al Al14 1 0.12079324 0.12079324 0.11934465 1.0 Al Al15 1 0.87920676 0.87920676 0.88065535 1.0 Al Al16 1 0.12079324 0.12079324 0.63906987 1.0 Al Al17 1 0.11075549 0.64281556 0.12321498 1.0 Al Al18 1 0.87920676 0.87920676 0.36093013 1.0 Al Al19 1 0.88924451 0.35718444 0.87678502 1.0 Al Al20 1 0.64281556 0.11075549 0.12321498 1.0 Al Al21 1 0.35718444 0.88924451 0.87678502 1.0 Cu Cu22 1 0.50000000 0.50000000 0.00000000 1.0 Ir Ir23 1 0.50000000 0.00000000 0.00000000 1.0 Ir Ir24 1 0.00000000 0.50000000 0.50000000 1.0 Ir Ir25 1 0.00000000 0.50000000 0.00000000 1.0 Ir Ir26 1 0.50000000 0.00000000 0.50000000 1.0 Ir Ir27 1 0.00000000 0.00000000 0.50000000 1.0 Ir Ir28 1 0.00000000 0.00000000 0.00000000 1.0