6 Lattice=" 25.0 0.0 0.0 0.0 25.0 0.0 0.0 0.0 25.0 " 1 1.711766 1.445938 2.481154 1 1.786648 3.09956 4.150451 1 2.046679 3.825969 2.202277 1 4.127996 2.712807 1.52252 1 4.061478 2.056421 3.562426 1 4.12269 4.38488 2.772359