4 Lattice=" 25.0 0.0 0.0 0.0 25.0 0.0 0.0 0.0 25.0 " 1 2.708012 2.8979 0.1426542 1 2.668399 4.443205 1.855685 1 4.1657 2.855247 1.706192 1 4.969554 4.688001 2.140644