> I want to calculate NiFe2O4, which have a spinel crystal structure. > But I always do not generate the right structure file. > Who can help me, or tell me the struct file of NiFe2O4. http://www.crystallography.net/cif/5/91/00/5910064.cif cif2struct 5910064.cif cp 5910064.struct case.struct Stefaan