# generated using pymatgen data_Lu2Al8SiIr3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.46093008 _cell_length_b 7.46093099 _cell_length_c 9.21449914 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.64560519 _symmetry_Int_Tables_number 1 _chemical_formula_structural Lu2Al8SiIr3 _chemical_formula_sum 'Lu4 Al16 Si2 Ir6' _cell_volume 445.78784637 _cell_formula_units_Z 2 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 0.99504816 0.67605599 0.25000000 1.0 Lu Lu1 1 0.00495184 0.32394401 0.75000000 1.0 Lu Lu2 1 0.67605599 0.99504816 0.25000000 1.0 Lu Lu3 1 0.32394401 0.00495184 0.75000000 1.0 Al Al4 1 0.00116204 0.33634118 0.07627889 1.0 Al Al5 1 0.99883796 0.66365882 0.92372111 1.0 Al Al6 1 0.99883796 0.66365882 0.57627889 1.0 Al Al7 1 0.33634118 0.00116204 0.42372111 1.0 Al Al8 1 0.00116204 0.33634118 0.42372111 1.0 Al Al9 1 0.66365882 0.99883796 0.57627889 1.0 Al Al10 1 0.66365882 0.99883796 0.92372111 1.0 Al Al11 1 0.33634118 0.00116204 0.07627889 1.0 Al Al12 1 0.33582115 0.33582115 0.55910361 1.0 Al Al13 1 0.66417885 0.66417885 0.44089639 1.0 Al Al14 1 0.66417885 0.66417885 0.05910361 1.0 Al Al15 1 0.33582115 0.33582115 0.94089639 1.0 Al Al16 1 0.33545079 0.54907769 0.25000000 1.0 Al Al17 1 0.66454921 0.45092231 0.75000000 1.0 Al Al18 1 0.54907769 0.33545079 0.25000000 1.0 Al Al19 1 0.45092231 0.66454921 0.75000000 1.0 Si Si20 1 0.13032217 0.13032217 0.25000000 1.0 Si Si21 1 0.86967783 0.86967783 0.75000000 1.0 Ir Ir22 1 0.67225192 0.32774808 0.00000000 1.0 Ir Ir23 1 0.32774808 0.67225192 0.00000000 1.0 Ir Ir24 1 0.32774808 0.67225192 0.50000000 1.0 Ir Ir25 1 0.67225192 0.32774808 0.50000000 1.0 Ir Ir26 1 0.00000000 0.00000000 0.00000000 1.0 Ir Ir27 1 0.00000000 0.00000000 0.50000000 1.0