# generated using pymatgen data_Mg6CuW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.79316400 _cell_length_b 5.99648500 _cell_length_c 10.49541300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg6CuW _chemical_formula_sum 'Mg12 Cu2 W2' _cell_volume 301.66058812 _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 0.26390600 0.09037800 1.0 Mg Mg1 1 0.00000000 0.73609400 0.09037800 1.0 Mg Mg2 1 0.00000000 0.00000000 0.33313800 1.0 Mg Mg3 1 0.50000000 0.74087600 0.41608400 1.0 Mg Mg4 1 0.50000000 0.25912400 0.41608400 1.0 Mg Mg5 1 0.50000000 0.00000000 0.16642000 1.0 Mg Mg6 1 0.00000000 0.76390600 0.59037800 1.0 Mg Mg7 1 0.00000000 0.23609400 0.59037800 1.0 Mg Mg8 1 0.00000000 0.50000000 0.83313800 1.0 Mg Mg9 1 0.50000000 0.24087600 0.91608400 1.0 Mg Mg10 1 0.50000000 0.75912400 0.91608400 1.0 Mg Mg11 1 0.50000000 0.50000000 0.66642000 1.0 Cu Cu12 1 0.00000000 0.50000000 0.31482100 1.0 Cu Cu13 1 0.00000000 0.00000000 0.81482100 1.0 W W14 1 0.50000000 0.50000000 0.17269700 1.0 W W15 1 0.50000000 0.00000000 0.67269700 1.0