4 Lattice=" 25.0 0.0 0.0 0.0 25.0 0.0 0.0 0.0 25.0 " 1 0.5633243 0.587944 2.601837 1 0.1058126 2.560527 1.172559 1 2.499208 0.3877255 2.706466 1 2.270099 2.422201 2.805782