This demonstrates the reading of cif files and some of the possible options.

Execute:

 python fromcif.py raw

which loads the cif as it is (which happens to have spacegroup 1).
Have a look at the output, especially the Wyckoff positions.



Next, execute:

 python fromcif.py smoothed

and have a look at the output, especially the Wyckoff positions,
which are now fractionals.



Next, execute:

 python fromcif.py raw detsym

and have a look at the output: we got space group 63 and
2 Ru positions, due to the approximate fractional 0.1666 and such.


Finally, execute:

 python fromcif.py smoothed detsym

Now we have one Ru and W position with fractionals and spacegroup 194
