5 Lattice=" 25.0 0.0 0.0 0.0 25.0 0.0 0.0 0.0 25.0 " 1 2.586158 0.6938923 0.8841089 1 2.34485 2.26041 2.433738 1 3.767171 2.568287 0.2210666 1 4.342877 1.484782 1.999902 1 4.214846 3.620834 1.934125