4 Lattice=" 25.0 0.0 0.0 0.0 25.0 0.0 0.0 0.0 25.0 " 1 2.683716 2.607351 2.520111 1 4.637842 1.301932 1.847927 1 5.191502 3.374533 2.444496 1 3.483741 4.863871 2.209214