4 Lattice=" 25.0 0.0 0.0 0.0 25.0 0.0 0.0 0.0 25.0 " 1 1.989907 0.3585894 1.995615 1 2.640493 2.59546 1.392112 1 2.7347 2.276458 3.733048 1 4.272646 1.115879 1.870464