4 Lattice=" 25.0 0.0 0.0 0.0 25.0 0.0 0.0 0.0 25.0 " 1 2.135873 2.201858 1.32304 1 2.23099 4.042962 2.822852 1 2.191888 4.248584 0.5451371 1 4.0769 3.470441 1.975385