4 Lattice=" 25.0 0.0 0.0 0.0 25.0 0.0 0.0 0.0 25.0 " 1 2.462385 1.450975 0.2684659 1 3.060126 2.637643 2.086081 1 2.184778 3.8492 0.5676388999999999 1 4.510071 4.418515 1.324556