5 Lattice=" 25.0 0.0 0.0 0.0 25.0 0.0 0.0 0.0 25.0 " 1 0.04170636 1.393533 2.342657 1 0.9221083 2.569653 0.2410471 1 1.810038 0.5140043 0.5075901 1 2.608454 2.928842 0.8878785 1 2.606177 1.867368 2.693771