5 Lattice=" 25.0 0.0 0.0 0.0 25.0 0.0 0.0 0.0 25.0 " 1 1.558502 1.467528 2.474942 1 1.379624 2.873279 4.407553 1 1.24144 3.597751 1.918679 1 3.591005 1.301821 3.64335 1 3.465479 3.687448 2.931727