6 Lattice=" 25.0 0.0 0.0 0.0 25.0 0.0 0.0 0.0 25.0 " 1 2.786609 1.867113 1.082186 1 2.283835 1.161691 2.913478 1 2.881264 2.452205 4.60424 1 1.739559 3.43443 2.357326 1 4.554937 2.252479 3.113794 1 4.190396 3.99304 2.000834