4 Lattice=" 25.0 0.0 0.0 0.0 25.0 0.0 0.0 0.0 25.0 " 1 2.809505 0.8723329 1.807311 1 2.882593 3.596674 1.603465 1 4.93122 1.133464 0.704126 1 5.052691 3.651911 0.4456494