3 Lattice=" 25.0 0.0 0.0 0.0 25.0 0.0 0.0 0.0 25.0 " 1 0.9325457 0.8627304 2.318578 1 0.6796957 2.260206 0.6525144 1 2.814913 2.122145 0.712584