5 Lattice=" 25.0 0.0 0.0 0.0 25.0 0.0 0.0 0.0 25.0 " 1 0.1779892 2.357943 0.2667025 1 0.683577 1.802827 2.30843 1 1.994264 0.9284256 0.4445094 1 2.959137 1.015728 2.327469 1 2.670153 2.85418 1.122954