5 Lattice=" 25.0 0.0 0.0 0.0 25.0 0.0 0.0 0.0 25.0 " 1 0.4656555 2.854978 2.130075 1 2.415045 0.7163998 1.216409 1 1.531563 1.029003 2.475027 1 2.019704 2.428405 0.6522284 1 2.764103 2.749341 2.416687