5 Lattice=" 25.0 0.0 0.0 0.0 25.0 0.0 0.0 0.0 25.0 " 1 1.803671 2.545248 2.102248 1 1.259758 2.236074 4.250707 1 2.077592 4.735817 2.343172 1 2.945146 3.702359 3.858992 1 3.151976 1.102961 3.497539