# generated using pymatgen data_Mg6ZrCu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.90300000 _cell_length_b 6.08672800 _cell_length_c 11.19104900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg6ZrCu _chemical_formula_sum 'Mg12 Zr2 Cu2' _cell_volume 333.97701997 _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 0.25434700 0.07500400 1.0 Mg Mg1 1 0.00000000 0.74565300 0.07500400 1.0 Mg Mg2 1 0.00000000 0.00000000 0.33321700 1.0 Mg Mg3 1 0.50000000 0.74439700 0.42071600 1.0 Mg Mg4 1 0.50000000 0.25560300 0.42071600 1.0 Mg Mg5 1 0.50000000 0.00000000 0.17625100 1.0 Mg Mg6 1 0.00000000 0.75434700 0.57500400 1.0 Mg Mg7 1 0.00000000 0.24565300 0.57500400 1.0 Mg Mg8 1 0.00000000 0.50000000 0.83321700 1.0 Mg Mg9 1 0.50000000 0.24439700 0.92071600 1.0 Mg Mg10 1 0.50000000 0.75560300 0.92071600 1.0 Mg Mg11 1 0.50000000 0.50000000 0.67625100 1.0 Zr Zr12 1 0.00000000 0.50000000 0.31365100 1.0 Zr Zr13 1 0.00000000 0.00000000 0.81365100 1.0 Cu Cu14 1 0.50000000 0.50000000 0.18544100 1.0 Cu Cu15 1 0.50000000 0.00000000 0.68544100 1.0