6 Lattice=" 25.0 0.0 0.0 0.0 25.0 0.0 0.0 0.0 25.0 " 1 1.26541 0.4689135 1.770405 1 0.1075881 2.160004 0.6716672 1 0.5668509 2.899878 2.242644 1 2.824031 1.222886 2.646945 1 2.932592 2.399832 0.52394 1 1.820297 2.092873 2.325497