Generating LARGE Cartesian Lattices?

[Saco]

Have you checked Mercury?
http://www.ccdc.cam.ac.uk/prods/mercury/index.html
It can read .cif and save as .mol, but I'm not sure that's what you
are looking for.

The following link gives high-pressure Te structure.
http://cst-www.nrl.navy.mil/lattice/struk/Te.html

BTW, there has been recently a new solution proposed for the
crystallographic phase problem.
http://xxx.lanl.gov/abs/cond-mat/0209690