6 Lattice=" 25.0 0.0 0.0 0.0 25.0 0.0 0.0 0.0 25.0 " 1 3.052782 0.533749 2.863364 1 2.918449 2.894241 2.581593 1 2.15775 1.828991 4.761683 1 4.980199 1.864144 2.667187 1 4.882978 3.954202 1.645371 1 4.390119 4.230009 4.149708