5 Lattice=" 25.0 0.0 0.0 0.0 25.0 0.0 0.0 0.0 25.0 " 1 1.825241 1.571351 1.750599 1 0.5622357 3.903382 1.066374 1 3.055372 3.197946 1.429481 1 3.763641 1.041333 1.110804 1 3.309317 1.461591 3.355414