[Ifeffit] Carlo's problem with wurtzite

Hi everyone, We encountered a similar problem with the default atoms precision of 5 digits for the Ti-omega phase structure. For that structure atoms gave different results for the Wyckoff coordinates: 1/3 2/3 1/2 and ..3333 .6666 .5 This (apparently) confused the degeneracy checker in atoms causing atoms to print out pairs atoms at nearly identical points. Although there may be cases where a difference between say 0.67 and 2/3 is a significant distortion, I think it's very rare that crystallographic parameters are known to better to 4 digits. Thus I'm wondering whether reducing the precision that atoms demands of a user might be advantageous. J. Rehr