6 Lattice=" 25.0 0.0 0.0 0.0 25.0 0.0 0.0 0.0 25.0 " 1 0.1263174 0.4385011 2.440297 1 1.443642 1.70162 0.7822092 1 0.8295505 2.763862 2.693363 1 2.917075 0.1010564 1.432133 1 1.93191 1.054076 2.887848 1 2.783401 2.698255 1.169851