# generated using pymatgen data_Lu12AlSi7Ir8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.48656677 _cell_length_b 7.65828860 _cell_length_c 12.90203165 _cell_angle_alpha 89.63143894 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Lu12AlSi7Ir8 _chemical_formula_sum 'Lu12 Al1 Si7 Ir8' _cell_volume 542.10263128 _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 0.62219992 0.25603169 0.25107021 1.0 Lu Lu1 1 0.37860263 0.74563925 0.74855868 1.0 Lu Lu2 1 0.37860263 0.75436075 0.25144132 1.0 Lu Lu3 1 0.62219992 0.24396831 0.74892979 1.0 Lu Lu4 1 0.14492778 0.39666709 0.10344827 1.0 Lu Lu5 1 0.85441508 0.60443103 0.89653108 1.0 Lu Lu6 1 0.86021105 0.60635322 0.60312445 1.0 Lu Lu7 1 0.86021105 0.89364678 0.39687555 1.0 Lu Lu8 1 0.14003727 0.39221689 0.39644363 1.0 Lu Lu9 1 0.14003727 0.10778311 0.60355637 1.0 Lu Lu10 1 0.14492778 0.10333291 0.89655173 1.0 Lu Lu11 1 0.85441508 0.89556897 0.10346892 1.0 Al Al12 1 0.61412696 0.25000000 0.00000000 1.0 Si Si13 1 0.13086616 0.10755205 0.25054911 1.0 Si Si14 1 0.87175190 0.89181964 0.74836711 1.0 Si Si15 1 0.87175190 0.60818036 0.25163289 1.0 Si Si16 1 0.13086616 0.39244795 0.74945089 1.0 Si Si17 1 0.39502125 0.75000000 0.00000000 1.0 Si Si18 1 0.40524593 0.75000000 0.50000000 1.0 Si Si19 1 0.59431581 0.25000000 0.50000000 1.0 Ir Ir20 1 0.34342599 0.02293715 0.09223543 1.0 Ir Ir21 1 0.65020958 0.96460882 0.90675515 1.0 Ir Ir22 1 0.65305768 0.97425870 0.58985993 1.0 Ir Ir23 1 0.65305768 0.52574130 0.41014007 1.0 Ir Ir24 1 0.34593797 0.02551181 0.41014056 1.0 Ir Ir25 1 0.34593797 0.47448819 0.58985944 1.0 Ir Ir26 1 0.34342599 0.47706285 0.90776457 1.0 Ir Ir27 1 0.65020958 0.53539118 0.09324485 1.0