3 Lattice=" 25.0 0.0 0.0 0.0 25.0 0.0 0.0 0.0 25.0 " 1 0.9623052 2.231977 0.5968294 1 0.7040627 1.607336 2.742561 1 2.447463 0.7226947 1.360493