How to dope in Wien2k for Example CoSb2.8Ge0.2 or CoSb2.7Ge0.3 in 2*1*1 supercell?

I tried to make a 2*1*1 supercell of CoSb₃. After making the supercell, the spacegroup changed to P. How can I restore it to Im-3?

16 January 2025 4,407 2 View