# generated using pymatgen data_Mg16Al12Ir _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.28386268 _cell_length_b 8.97774117 _cell_length_c 8.97774186 _cell_angle_alpha 108.77022643 _cell_angle_beta 110.16343696 _cell_angle_gamma 110.16344331 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg16Al12Ir _chemical_formula_sum 'Mg16 Al12 Ir1' _cell_volume 571.03050469 _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 Mg Mg0 1 0.98447600 0.00000100 0.99999900 1.0 Mg Mg1 1 0.31840100 0.58892600 0.00000000 1.0 Mg Mg2 1 0.00297500 0.35606700 0.00000000 1.0 Mg Mg3 1 0.56286400 0.24804800 0.00000000 1.0 Mg Mg4 1 0.56286400 0.00000000 0.24804800 1.0 Mg Mg5 1 0.68123500 0.67101200 0.27257300 1.0 Mg Mg6 1 0.01022400 0.60156200 0.32898900 1.0 Mg Mg7 1 0.00297500 0.00000100 0.35606700 1.0 Mg Mg8 1 0.40866200 0.72742700 0.39843900 1.0 Mg Mg9 1 0.72947600 0.41107500 0.41107500 1.0 Mg Mg10 1 0.31840100 0.00000000 0.58892600 1.0 Mg Mg11 1 0.01022400 0.32898900 0.60156200 1.0 Mg Mg12 1 0.64690500 0.64393300 0.64393300 1.0 Mg Mg13 1 0.68123500 0.27257300 0.67101100 1.0 Mg Mg14 1 0.40866200 0.39843900 0.72742800 1.0 Mg Mg15 1 0.31481700 0.75195200 0.75195200 1.0 Al Al16 1 0.65436200 0.80805300 0.00000000 1.0 Al Al17 1 0.81188500 0.60747300 0.00000100 1.0 Al Al18 1 0.18338100 0.81795400 0.17838900 1.0 Al Al19 1 0.36542900 0.36043500 0.18204500 1.0 Al Al20 1 0.84630800 0.19194700 0.19194700 1.0 Al Al21 1 0.36542900 0.18204500 0.36043500 1.0 Al Al22 1 0.20441200 0.39252800 0.39252800 1.0 Al Al23 1 0.81188500 0.00000000 0.60747300 1.0 Al Al24 1 0.00499300 0.82161000 0.63956500 1.0 Al Al25 1 0.65436200 0.00000000 0.80805300 1.0 Al Al26 1 0.18338200 0.17838800 0.81795400 1.0 Al Al27 1 0.00499200 0.63956500 0.82161100 1.0 Ir Ir28 1 0.26479300 0.00000100 0.00000000 1.0