6 Lattice=" 25.0 0.0 0.0 0.0 25.0 0.0 0.0 0.0 25.0 " 1 1.98485 2.119324 1.827991 1 0.9744942 2.30107 3.805126 1 2.339547 3.991011 2.574302 1 4.37234 1.986188 1.289197 1 3.548577 1.396458 3.420144 1 4.317537 3.428201 2.979668