# generated using pymatgen data_Mg6AlCu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.86510800 _cell_length_b 6.17793300 _cell_length_c 10.49070800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg6AlCu _chemical_formula_sum 'Mg12 Al2 Cu2' _cell_volume 315.31198500 _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 Mg Mg0 1 0.00000000 0.25001300 0.58406600 1.0 Mg Mg1 1 0.00000000 0.74998700 0.58406600 1.0 Mg Mg2 1 0.50000000 0.24504700 0.41254200 1.0 Mg Mg3 1 0.50000000 0.75495300 0.41254200 1.0 Mg Mg4 1 0.50000000 0.00000000 0.66923000 1.0 Mg Mg5 1 0.50000000 0.00000000 0.17249300 1.0 Mg Mg6 1 0.00000000 0.75001300 0.08406600 1.0 Mg Mg7 1 0.00000000 0.24998700 0.08406600 1.0 Mg Mg8 1 0.50000000 0.74504700 0.91254200 1.0 Mg Mg9 1 0.50000000 0.25495300 0.91254200 1.0 Mg Mg10 1 0.50000000 0.50000000 0.16923000 1.0 Mg Mg11 1 0.50000000 0.50000000 0.67249300 1.0 Al Al12 1 0.00000000 0.00000000 0.83230400 1.0 Al Al13 1 0.00000000 0.50000000 0.33230400 1.0 Cu Cu14 1 0.00000000 0.00000000 0.33276100 1.0 Cu Cu15 1 0.00000000 0.50000000 0.83276100 1.0