6 Lattice=" 25.0 0.0 0.0 0.0 25.0 0.0 0.0 0.0 25.0 " 1 0.6305471 0.004371992 1.304235 1 0.7154426 1.383697 2.938133 1 2.486494 1.164331 0.5043625 1 2.840403 0.4835428 2.252778 1 2.544628 2.936148 1.00011 1 2.473494 2.502288 2.980444