4 Lattice=" 25.0 0.0 0.0 0.0 25.0 0.0 0.0 0.0 25.0 " 1 0.1831465 2.116708 2.654984 1 2.667227 1.663235 3.267218 1 1.69792 3.784061 1.911913 1 4.015612 2.751902 1.554252