6 Lattice=" 25.0 0.0 0.0 0.0 25.0 0.0 0.0 0.0 25.0 " 1 2.026773 2.5022 1.482523 1 1.327692 1.758529 3.84576 1 1.586091 4.007002 3.406328 1 4.160839 1.404559 1.89873 1 3.792152 2.753975 4.110825 1 3.943377 3.908391 2.363825