# generated using pymatgen data_LiMg6Cu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.97858900 _cell_length_b 6.12501800 _cell_length_c 10.63868600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiMg6Cu _chemical_formula_sum 'Li2 Mg12 Cu2' _cell_volume 324.41552958 _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 Li Li0 1 0.50000000 0.50000000 0.16993000 1.0 Li Li1 1 0.50000000 0.00000000 0.66993000 1.0 Mg Mg2 1 0.00000000 0.74662100 0.08565000 1.0 Mg Mg3 1 0.00000000 0.25337900 0.08565000 1.0 Mg Mg4 1 0.00000000 0.00000000 0.33280500 1.0 Mg Mg5 1 0.50000000 0.25943700 0.41245100 1.0 Mg Mg6 1 0.50000000 0.74056300 0.41245100 1.0 Mg Mg7 1 0.50000000 0.00000000 0.16652200 1.0 Mg Mg8 1 0.00000000 0.24662100 0.58565000 1.0 Mg Mg9 1 0.00000000 0.75337900 0.58565000 1.0 Mg Mg10 1 0.00000000 0.50000000 0.83280500 1.0 Mg Mg11 1 0.50000000 0.75943700 0.91245100 1.0 Mg Mg12 1 0.50000000 0.24056300 0.91245100 1.0 Mg Mg13 1 0.50000000 0.50000000 0.66652200 1.0 Cu Cu14 1 0.00000000 0.50000000 0.33454000 1.0 Cu Cu15 1 0.00000000 0.00000000 0.83454000 1.0