5 Lattice=" 25.0 0.0 0.0 0.0 25.0 0.0 0.0 0.0 25.0 " 1 2.146483 1.678803 1.689789 1 0.9939717 3.024801 3.865516 1 2.198915 3.863733 1.927968 1 4.22715 2.33689 1.172014 1 3.633184 2.755923 3.714191