4 Lattice=" 25.0 0.0 0.0 0.0 25.0 0.0 0.0 0.0 25.0 " 1 0.3770021 2.480989 0.330891 1 1.37199 1.592611 1.860343 1 2.331643 1.562489 0.03918458 1 2.732161 1.633533 2.725687