5 Lattice=" 25.0 0.0 0.0 0.0 25.0 0.0 0.0 0.0 25.0 " 1 2.180035 1.415878 2.755479 1 0.3300308 2.592052 2.653614 1 2.100058 3.620481 1.423788 1 2.171562 4.236408 3.751897 1 3.719666 3.140383 2.648489