6 Lattice=" 25.0 0.0 0.0 0.0 25.0 0.0 0.0 0.0 25.0 " 1 2.8328 1.144076 3.909989 1 1.831555 2.949109 3.983595 1 4.980623 2.123246 2.998848 1 3.28235 2.585733 1.880535 1 4.448764 2.855471 5.04642 1 4.331941 4.016039 3.033368