4 Lattice=" 25.0 0.0 0.0 0.0 25.0 0.0 0.0 0.0 25.0 " 1 2.292151 1.45413 2.80857 1 4.176259 2.493047 1.980768 1 5.406706 4.273706 3.138011 1 3.209339 3.672476 3.364078