6 Lattice=" 25.0 0.0 0.0 0.0 25.0 0.0 0.0 0.0 25.0 " 1 2.304566 2.573407 2.013286 1 1.594988 1.205897 3.788304 1 4.305804 2.27362 1.126873 1 3.775257 0.6680547 2.70197 1 5.174566 3.086819 3.056932 1 3.543793 4.723705 1.740813