4 Lattice=" 25.0 0.0 0.0 0.0 25.0 0.0 0.0 0.0 25.0 " 1 2.317425 2.441467 0.3846032 1 3.811793 1.686821 2.499749 1 3.76463 3.669357 1.636357 1 5.464723 3.213327 3.188752