diff --git a/pyxtal/crystal.py b/pyxtal/crystal.py index 09ec58d..a8bfdfd 100644 --- a/pyxtal/crystal.py +++ b/pyxtal/crystal.py @@ -404,6 +404,9 @@ def _check_consistency(self, site, numIon): if isinstance(s, dict): for key in s: num += int(key[:-1]) + elif isinstance(s, tuple): + (letter, x, y, z) = s + num += int(letter[:-1]) else: num += int(s[:-1]) if numIon == num: