6 Lattice=" 25.0 0.0 0.0 0.0 25.0 0.0 0.0 0.0 25.0 " 1 2.371302 1.822431 2.77878 1 1.953583 1.464236 4.887458 1 2.036561 3.993513 4.302634 1 4.621904 2.219697 2.273588 1 4.551448 2.283743 4.505208 1 4.054448 4.223119 3.103646