4 Lattice=" 25.0 0.0 0.0 0.0 25.0 0.0 0.0 0.0 25.0 " 1 1.255333 1.27162 2.732919 1 0.1563082 2.037757 0.9195406 1 2.732822 1.199342 1.101381 1 2.723495 2.772071 2.173764