6 Lattice=" 25.0 0.0 0.0 0.0 25.0 0.0 0.0 0.0 25.0 " 1 0.2279875 0.3441096 1.620821 1 0.06388481 2.12081 2.259282 1 2.131638 0.02823527 0.491309 1 2.985428 0.1085719 2.760683 1 1.598201 2.879516 0.4111126 1 2.843247 2.032667 1.905289