# generated using pymatgen data_Mg6CuMo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.80993200 _cell_length_b 6.06691200 _cell_length_c 10.55455400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg6CuMo _chemical_formula_sum 'Mg12 Cu2 Mo2' _cell_volume 307.99702274 _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 0.26394800 0.09117700 1.0 Mg Mg1 1 0.00000000 0.73605200 0.09117700 1.0 Mg Mg2 1 0.00000000 0.00000000 0.33389000 1.0 Mg Mg3 1 0.50000000 0.74019300 0.41501800 1.0 Mg Mg4 1 0.50000000 0.25980700 0.41501800 1.0 Mg Mg5 1 0.50000000 0.00000000 0.16585900 1.0 Mg Mg6 1 0.00000000 0.76394800 0.59117700 1.0 Mg Mg7 1 0.00000000 0.23605200 0.59117700 1.0 Mg Mg8 1 0.00000000 0.50000000 0.83389000 1.0 Mg Mg9 1 0.50000000 0.24019300 0.91501800 1.0 Mg Mg10 1 0.50000000 0.75980700 0.91501800 1.0 Mg Mg11 1 0.50000000 0.50000000 0.66585900 1.0 Cu Cu12 1 0.00000000 0.50000000 0.31734900 1.0 Cu Cu13 1 0.00000000 0.00000000 0.81734900 1.0 Mo Mo14 1 0.50000000 0.50000000 0.17051200 1.0 Mo Mo15 1 0.50000000 0.00000000 0.67051200 1.0