If your interest is in lattice transformations, I recommend looking at the
NIST*Lattice program (contact: vicky.karen@NIST.GOV). It is a very powerful
code for looking for missed high symmetry cells and comparing two cells for a
common basis. It does not use atomic positions at all, but does produce
transformation matrices. The program was written some time back and requires
"computer card" style input, but should run with any Fortran compiler on nearly
any machine.
Brian
-- ********************************************************************Brian H. Toby, Ph.D. Leader, Crystallography TeamBrian.Toby@NIST.gov Center for Neutron Research E151/235voice: 301-975-4297 National Institute of Standards & TechnologyFAX: 301-921-9847 Gaithersburg, MD 20899********************************************************************