Currently for each structure, fractional coordinates and space group are given, easily exported as a .cif file. I’ve been using that information paired with the Bilbao Crystallographic Server to assign Wyckoff positions to each atom and identify Raman-active and IR-active irreducible representations. For me, this is handy for Raman and IR spectroscopy interpretation.
Does this application align with materialsproject goals? Is there any hope of integration in the future, maybe having Wyckoff positions listed or a Raman/IR module?