6 Lattice=" 25.0 0.0 0.0 0.0 25.0 0.0 0.0 0.0 25.0 " 1 1.718051 2.8648 0.868268 1 1.578738 2.123399 2.800363 1 1.502934 5.103369 1.611601 1 2.373634 3.880614 3.837999 1 3.381701 1.593797 3.943141 1 3.548939 3.24359 2.048233