Dear Peter sir, When I upload my cif structure in wien2k,and run the x nn program, it shows that atoms 7 and 8 are sit at the same equivalent position. If I do the cif2struct then the struct file generated has the same position of atom 7 and 8 and also some other atoms acquire the same position. But in cif, when I check, the coordinates of atoms 6 and 7 are distinct.
What could be the possible solution of it. NB: I tried with different conversion of format (using VESTA) but the error remains the same.
5layerbi2se3.cif
Description: 5layerbi2se3.cif
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