4 Lattice=" 25.0 0.0 0.0 0.0 25.0 0.0 0.0 0.0 25.0 " 1 2.981879 2.471572 0.8262208 1 2.281655 4.554051 1.863523 1 5.076588 2.879909 1.611357 1 3.102869 3.020322 3.30467