5 Lattice=" 25.0 0.0 0.0 0.0 25.0 0.0 0.0 0.0 25.0 " 1 1.315229 1.970134 1.251156 1 2.446456 1.371806 3.228222 1 2.210991 3.807563 2.665918 1 3.91387 2.306933 1.422662 1 4.773827 3.931269 3.099477