6 Lattice=" 25.0 0.0 0.0 0.0 25.0 0.0 0.0 0.0 25.0 " 1 3.027282 5.632261 2.076972 1 2.884751 3.592598 1.127951 1 2.371812 3.264152 3.427474 1 4.423647 2.751313 2.650154 1 4.69656 4.49664 0.8853521 1 4.67919 4.727196 3.249691