6 Lattice=" 25.0 0.0 0.0 0.0 25.0 0.0 0.0 0.0 25.0 " 1 0.1126891 1.464287 0.6414025 1 1.365449 0.1265984 2.502806 1 0.3364486 2.37729 2.80341 1 2.851665 1.424041 0.07152818 1 2.597469 0.5436052 1.609588 1 2.328633 2.330176 2.375244