5 Lattice=" 25.0 0.0 0.0 0.0 25.0 0.0 0.0 0.0 25.0 " 1 1.84187 2.347102 1.383115 1 2.042679 1.03426 3.627522 1 0.9834518 3.478775 3.226301 1 4.103178 1.51668 2.106844 1 3.482715 3.397853 2.716774