4 Lattice=" 25.0 0.0 0.0 0.0 25.0 0.0 0.0 0.0 25.0 " 1 0.5841741 2.545286 0.5022438 1 0.7241085 2.019482 2.965193 1 2.731277 0.2602868 2.851559 1 2.625027 1.721931 1.1007