This is a very common question on the Ifeffit mailing list. A bit of time searching at http://www.mail-archive.com/ifeffit@millenia.cars.aps.anl.gov/ would turn up plenty of information. Here's one example: http://www.mail-archive.com/ifeffit@millenia.cars.aps.anl.gov/msg03400.html B On Saturday, August 25, 2012 03:54:20 AM washington gomes wrote:

Dear Colleague, Iwould like you to help me with attached file átomos.inp I am sending to you. Typed parameters atomic position of La0.7Sr0.3CoO3 atoms on the web.Atomsin the program for generating lists of atomic coordinates from crystallographic data and appearedthe following message after running atoms. These sites: "La1" "Sr1" generate one or more common positions and their occupancies sum to more than 1.

Yours sincerely: Washington C. M. Gomes

-- Bruce Ravel ------------------------------------ bravel at bnl.gov National Institute of Standards and Technology Synchrotron Methods Group at NSLS --- Beamlines U7A, X24A, X23A2 Building 535A Upton NY, 11973 My homepage: http://xafs.org/BruceRavel EXAFS software: http://cars9.uchicago.edu/ifeffit/Demeter