4 Lattice=" 25.0 0.0 0.0 0.0 25.0 0.0 0.0 0.0 25.0 " 1 0.3325294 1.292007 2.781643 1 0.956748 2.703021 0.8878135 1 2.470464 0.5148963 2.530425 1 2.599779 2.407063 2.409401