3 Lattice=" 25.0 0.0 0.0 0.0 25.0 0.0 0.0 0.0 25.0 " 1 0.2050081 2.714754 1.661353 1 2.62684 0.6741336999999999 0.177734 1 2.433596 2.075379 2.109062