Sources for files for testing a thermal ellipsoid (ORTEP) program

I am trying to reimplement the functionality of the classical program [ORTEP](https://ornl-ndav.github.io/ortep/ortep.html) for producing thermal ellipsoid plots of a crystal/molecule in a modern computer language. Unfortunately, I am having trouble finding usable sample files with the required thermal displacement parameters so that I can test my program. Is there any good source of thermal data for various molecules? Alternatively, if I have e.g. a MOL file of a molecule (or some other easily produced chemical file format), is there any way to produce reasonable(?) simulations of the required thermal parameters? Ideally I would want a sampling of molecules of various sizes.


