4 Lattice=" 25.0 0.0 0.0 0.0 25.0 0.0 0.0 0.0 25.0 " 1 2.144626 2.611578 2.318929 1 1.72687 4.93899 1.794824 1 4.392296 1.543553 2.156587 1 3.81892 4.173373 2.152355