# generated using pymatgen data_Zr4Al7Cu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.28819867 _cell_length_b 5.23247799 _cell_length_c 8.64472274 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.35287708 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr4Al7Cu _chemical_formula_sum 'Zr4 Al7 Cu1' _cell_volume 206.41515997 _cell_formula_units_Z 1 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 Zr Zr0 1 0.33517098 0.67034296 0.43234980 1.0 Zr Zr1 1 0.66543948 0.33087797 0.93293588 1.0 Zr Zr2 1 0.66543948 0.33087797 0.56706412 1.0 Zr Zr3 1 0.33517098 0.67034296 0.06765020 1.0 Al Al4 1 0.83130919 0.17388054 0.25000000 1.0 Al Al5 1 0.34256935 0.17388054 0.25000000 1.0 Al Al6 1 0.64589585 0.81208685 0.75000000 1.0 Al Al7 1 0.00748473 0.01497047 0.99082340 1.0 Al Al8 1 0.00748473 0.01497047 0.50917660 1.0 Al Al9 1 0.83225852 0.66451804 0.25000000 1.0 Al Al10 1 0.16619200 0.81208685 0.75000000 1.0 Cu Cu11 1 0.16558370 0.33116640 0.75000000 1.0