4 Lattice=" 25.0 0.0 0.0 0.0 25.0 0.0 0.0 0.0 25.0 " 1 0.2060479 0.4392103 0.536627 1 0.8973674 2.787628 2.003299 1 2.304853 0.5642387 2.192016 1 2.056891 1.911825 0.3751916