# generated using pymatgen data_Mg4Cu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.00661079 _cell_length_b 7.00661079 _cell_length_c 7.00661079 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg4Cu _chemical_formula_sum 'Mg8 Cu2' _cell_volume 243.22543126 _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 0.60743800 0.60743800 0.60743800 1.0 Mg Mg1 1 0.17768500 0.60743800 0.60743800 1.0 Mg Mg2 1 0.60743800 0.17768500 0.60743800 1.0 Mg Mg3 1 0.57231500 0.14256200 0.14256200 1.0 Mg Mg4 1 0.14256200 0.14256200 0.14256200 1.0 Mg Mg5 1 0.60743800 0.60743800 0.17768500 1.0 Mg Mg6 1 0.14256200 0.57231500 0.14256200 1.0 Mg Mg7 1 0.14256200 0.14256200 0.57231500 1.0 Cu Cu8 1 0.00000000 0.00000000 0.00000000 1.0 Cu Cu9 1 0.75000000 0.75000000 0.75000000 1.0