At this point, it is important to recall that the Euclidean space in which the graph is embedded through the equilibrium placement depends on its initial representation, so there is no simple way of finding a unique unit cell independently of the original representation. In particular, common cell reduction techniques such as Delaunay or Niggli , which yield a uniquely defined cell, do not solve this problem. Unfortunately, existing libraries implementing these techniques (like spglib or cctbx ) cannot be used either for the simpler problem of finding any unit cell because they do not handle arbitrary precision.