# generated using pymatgen data_Mg6GaCu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.90404500 _cell_length_b 6.10374700 _cell_length_c 10.62789400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg6GaCu _chemical_formula_sum 'Mg12 Ga2 Cu2' _cell_volume 318.12528204 _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 0.74645300 0.08624900 1.0 Mg Mg1 1 0.00000000 0.25354700 0.08624900 1.0 Mg Mg2 1 0.00000000 0.00000000 0.33300300 1.0 Mg Mg3 1 0.50000000 0.25891800 0.41130100 1.0 Mg Mg4 1 0.50000000 0.74108200 0.41130100 1.0 Mg Mg5 1 0.50000000 0.00000000 0.16752400 1.0 Mg Mg6 1 0.00000000 0.24645300 0.58624900 1.0 Mg Mg7 1 0.00000000 0.75354700 0.58624900 1.0 Mg Mg8 1 0.00000000 0.50000000 0.83300300 1.0 Mg Mg9 1 0.50000000 0.75891800 0.91130100 1.0 Mg Mg10 1 0.50000000 0.24108200 0.91130100 1.0 Mg Mg11 1 0.50000000 0.50000000 0.66752400 1.0 Ga Ga12 1 0.50000000 0.50000000 0.16943200 1.0 Ga Ga13 1 0.50000000 0.00000000 0.66943200 1.0 Cu Cu14 1 0.00000000 0.50000000 0.33494200 1.0 Cu Cu15 1 0.00000000 0.00000000 0.83494200 1.0