How to correct the atom position to match Wyckoff symmetry when import .cif file into Profex?

Hello, I have a problem when I import Nb3Cl8 .cif file to Profex. Below are the atom positions and the problem is about Cl3 atom. Cl1: (0.333333, 0.666667, 0.143800) matching Wyckoff d (1/3, 2/3,...

01 October 2022 4,885 1 View