4 Lattice=" 25.0 0.0 0.0 0.0 25.0 0.0 0.0 0.0 25.0 " 1 1.6079 1.726733 2.75301 1 2.002918 3.986459 1.396167 1 4.133267 4.619556 1.499098 1 3.466505 3.469363 3.287809