# generated using pymatgen data_Mg16Al12Cu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.27036195 _cell_length_b 9.04090154 _cell_length_c 9.04090226 _cell_angle_alpha 108.95138442 _cell_angle_beta 109.98618293 _cell_angle_gamma 109.98617527 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg16Al12Cu _chemical_formula_sum 'Mg16 Al12 Cu1' _cell_volume 579.56043170 _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 0.31755300 0.59761200 0.00000000 1.0 Mg Mg1 1 0.58231200 0.28276900 0.00000000 1.0 Mg Mg2 1 0.99604600 0.00000000 0.00000000 1.0 Mg Mg3 1 0.00250100 0.34835700 0.00000000 1.0 Mg Mg4 1 0.68336800 0.67871700 0.27894600 1.0 Mg Mg5 1 0.58231300 0.00000000 0.28276900 1.0 Mg Mg6 1 0.00465300 0.60022900 0.32128300 1.0 Mg Mg7 1 0.00250100 0.00000000 0.34835700 1.0 Mg Mg8 1 0.40442400 0.72105300 0.39977100 1.0 Mg Mg9 1 0.71994100 0.40238900 0.40238900 1.0 Mg Mg10 1 0.31755300 0.00000000 0.59761200 1.0 Mg Mg11 1 0.00465300 0.32128300 0.60022900 1.0 Mg Mg12 1 0.65414200 0.65164300 0.65164300 1.0 Mg Mg13 1 0.68336800 0.27894600 0.67871600 1.0 Mg Mg14 1 0.29954400 0.71723100 0.71723100 1.0 Mg Mg15 1 0.40442300 0.39977100 0.72105400 1.0 Al Al16 1 0.81510500 0.62097200 0.00000000 1.0 Al Al17 1 0.64513700 0.81132300 0.00000000 1.0 Al Al18 1 0.36687200 0.36306100 0.18189800 1.0 Al Al19 1 0.18497300 0.81810100 0.18116300 1.0 Al Al20 1 0.83381300 0.18867800 0.18867700 1.0 Al Al21 1 0.36687200 0.18189800 0.36306100 1.0 Al Al22 1 0.19413400 0.37903000 0.37903000 1.0 Al Al23 1 0.81510600 0.00000000 0.62097100 1.0 Al Al24 1 0.00381100 0.81883700 0.63694000 1.0 Al Al25 1 0.64513700 0.00000000 0.81132300 1.0 Al Al26 1 0.00381100 0.63694100 0.81883700 1.0 Al Al27 1 0.18497300 0.18116300 0.81810100 1.0 Cu Cu28 1 0.28096500 0.00000000 0.00000000 1.0