4 Lattice=" 25.0 0.0 0.0 0.0 25.0 0.0 0.0 0.0 25.0 " 1 1.504182 0.6046597 2.321872 1 1.745959 3.100925 2.68757 1 3.896834 1.31316 2.432517 1 4.079685 3.860896 1.604541