I am not sure I can really help much more, the software is working (stucture downloaded from P Hakey et al, Acta Cryst. Sect E, 2008, 64(Pt 5): o940)
I am not an inorganic chemist, I only look at small organic molecules.
If you look at the CIF as a text file you can see it provides coordinate and bonding data so in my opinion there may something wrong with your data.
Where did your data come from? Did you collect it yourself? Do you have the structure factors (hkl file)?
Do you know what the compound is?