6 Lattice=" 25.0 0.0 0.0 0.0 25.0 0.0 0.0 0.0 25.0 " 1 1.812764 2.945421 2.559452 1 2.048733 5.064469 2.590361 1 1.68878 4.0736 4.61933 1 3.825985 1.610162 2.771694 1 3.464008 1.900955 5.010898 1 3.739673 4.208091 3.771007