# generated using pymatgen data_Mg6ZrCu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.88327300 _cell_length_b 5.95277400 _cell_length_c 11.52594900 _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 335.04804833 _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 0.50000000 0.24903300 0.43257400 1.0 Mg Mg1 1 0.50000000 0.75096700 0.43257400 1.0 Mg Mg2 1 0.00000000 0.75245700 0.08089800 1.0 Mg Mg3 1 0.00000000 0.24754300 0.08089800 1.0 Mg Mg4 1 0.00000000 0.00000000 0.33468400 1.0 Mg Mg5 1 0.00000000 0.50000000 0.30498800 1.0 Mg Mg6 1 0.50000000 0.74903300 0.93257400 1.0 Mg Mg7 1 0.50000000 0.25096700 0.93257400 1.0 Mg Mg8 1 0.00000000 0.25245700 0.58089800 1.0 Mg Mg9 1 0.00000000 0.74754300 0.58089800 1.0 Mg Mg10 1 0.00000000 0.50000000 0.83468400 1.0 Mg Mg11 1 0.00000000 0.00000000 0.80498800 1.0 Zr Zr12 1 0.50000000 0.00000000 0.18437900 1.0 Zr Zr13 1 0.50000000 0.50000000 0.68437900 1.0 Cu Cu14 1 0.50000000 0.50000000 0.14900200 1.0 Cu Cu15 1 0.50000000 0.00000000 0.64900200 1.0