5 Lattice=" 25.0 0.0 0.0 0.0 25.0 0.0 0.0 0.0 25.0 " 1 1.30949 2.712734 2.978333 1 0.06720063 1.690783 1.932827 1 2.539316 0.8650755 1.245634 1 2.964133 0.3086468 2.850804 1 2.353048 2.858216 0.4219119