4 Lattice=" 25.0 0.0 0.0 0.0 25.0 0.0 0.0 0.0 25.0 " 1 1.326982 2.931831 2.8356 1 2.985473 5.271512 2.625627 1 3.36135 3.068834 4.126187 1 5.058565 5.017036 3.466471