4 Lattice=" 25.0 0.0 0.0 0.0 25.0 0.0 0.0 0.0 25.0 " 1 0.2517942 1.00813 0.5908488 1 0.7479483 2.057521 2.479291 1 2.193445 0.07825532 1.774549 1 2.171144 2.200702 0.4838172