# generated using pymatgen data_Lu4Al17SiIr6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.46523834 _cell_length_b 7.46523793 _cell_length_c 9.28616403 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.66344180 _symmetry_Int_Tables_number 1 _chemical_formula_structural Lu4Al17SiIr6 _chemical_formula_sum 'Lu4 Al17 Si1 Ir6' _cell_volume 449.69411682 _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 Lu Lu0 1 0.99354136 0.67731347 0.25000000 1.0 Lu Lu1 1 0.00287976 0.33041073 0.75000000 1.0 Lu Lu2 1 0.67731347 0.99354136 0.25000000 1.0 Lu Lu3 1 0.33041073 0.00287976 0.75000000 1.0 Al Al4 1 0.87497453 0.87497453 0.75000000 1.0 Al Al5 1 0.00078740 0.33723053 0.07662163 1.0 Al Al6 1 0.99866453 0.66567204 0.92537917 1.0 Al Al7 1 0.99866453 0.66567204 0.57462083 1.0 Al Al8 1 0.33723053 0.00078740 0.42337837 1.0 Al Al9 1 0.00078740 0.33723053 0.42337837 1.0 Al Al10 1 0.66567204 0.99866453 0.57462083 1.0 Al Al11 1 0.66567204 0.99866453 0.92537917 1.0 Al Al12 1 0.33723053 0.00078740 0.07662163 1.0 Al Al13 1 0.33157764 0.33157764 0.56008505 1.0 Al Al14 1 0.66275587 0.66275587 0.44780343 1.0 Al Al15 1 0.66275587 0.66275587 0.05219657 1.0 Al Al16 1 0.33157764 0.33157764 0.93991495 1.0 Al Al17 1 0.33659276 0.54996426 0.25000000 1.0 Al Al18 1 0.66198656 0.45235386 0.75000000 1.0 Al Al19 1 0.54996426 0.33659276 0.25000000 1.0 Al Al20 1 0.45235386 0.66198656 0.75000000 1.0 Si Si21 1 0.13322827 0.13322827 0.25000000 1.0 Ir Ir22 1 0.67053969 0.32602552 0.00023901 1.0 Ir Ir23 1 0.32602552 0.67053969 0.00023901 1.0 Ir Ir24 1 0.32602552 0.67053969 0.49976099 1.0 Ir Ir25 1 0.67053969 0.32602552 0.49976099 1.0 Ir Ir26 1 0.00012549 0.00012549 0.00786812 1.0 Ir Ir27 1 0.00012549 0.00012549 0.49213188 1.0