We propose to prioritize the sets of indistinguishable atoms for this selection based on two criteria: The main criterion is the closest distance (in terms of the number of bonds) from an atom of the set to another atom which is not contained in any set or, in case there is no such atom, which is in a set with the smallest cardinality to be found. If this number differs for the two structures, the larger value is used. The second criterion which is decisive for ambiguous cases is the cardinality of the sets themselves, so that sets with a smaller number of atoms would be prioritized. To compensate for errors from the auxiliary assignment problem with a given number of coordination spheres n spheres , a scan over n spheres can be performed to diversify the initial guesses and their corresponding partitioning into sets of indistinguishable atoms.