# generated using pymatgen data_Mg4CuNi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.16541160 _cell_length_b 5.16541160 _cell_length_c 13.35890552 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99998303 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg4CuNi _chemical_formula_sum 'Mg12 Cu3 Ni3' _cell_volume 308.68210309 _cell_formula_units_Z 3 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 0.16129055 0.83870945 0.33333300 1.0 Mg Mg1 1 0.16129055 0.32258110 -0.00000000 1.0 Mg Mg2 1 0.67741890 0.83870945 0.66666700 1.0 Mg Mg3 1 0.83870945 0.16129055 0.33333300 1.0 Mg Mg4 1 0.83870945 0.67741890 -0.00000000 1.0 Mg Mg5 1 0.32258110 0.16129055 0.66666700 1.0 Mg Mg6 1 0.50000000 0.50000000 0.21862472 1.0 Mg Mg7 1 0.50000000 0.00000000 0.88529172 1.0 Mg Mg8 1 0.00000000 0.50000000 0.55195872 1.0 Mg Mg9 1 0.50000000 0.50000000 0.44804128 1.0 Mg Mg10 1 0.00000000 0.50000000 0.78137528 1.0 Mg Mg11 1 0.50000000 0.00000000 0.11470828 1.0 Cu Cu12 1 0.50000000 0.50000000 0.83333300 1.0 Cu Cu13 1 0.50000000 0.00000000 0.50000000 1.0 Cu Cu14 1 0.00000000 0.50000000 0.16666700 1.0 Ni Ni15 1 0.00000000 0.00000000 0.83333300 1.0 Ni Ni16 1 0.00000000 0.00000000 0.50000000 1.0 Ni Ni17 1 0.00000000 0.00000000 0.16666700 1.0