6 Lattice=" 25.0 0.0 0.0 0.0 25.0 0.0 0.0 0.0 25.0 " 1 2.336271 1.731327 1.289714 1 2.769645 4.287083 1.737277 1 4.480326 1.077167 0.108092 1 5.392167 2.307543 2.197028 1 3.12468 2.46702 3.187134 1 4.416093 3.533887 0.3236582