I tried to play with your structure and I succeeded.
always one cell in x- y- and z- directions
zero shift in all directions
Enter your target lattice type:
(you must choose primitive lattice in order to break
the symmetries you do not want there).
Zero vacuum in all directions.
cp TiO2-sup_super.struct TiO2-sup.struct
Edit the TiO2-sup.struct file and find the two Cu atoms.
Rewrite the space after first Cu to 1.
Rewrite the space after second Cu to 2.
Or do these two things comfortably using w2web.
You must have them inequivalent.
By the way, are you sure that the vacuum you have for your slab is
sufficient? When I use slabs I try to have vacuum around 20 bohrs.
By checking TiO2-sup.outputsgroup you see that sgroup has chosen
monoclinic lattice but with all three angles equal to 90 degrees.
(Space group 56 6 Pm)
Then, I STRONGLY RECOMMEND TO ERASE ONE OF THE Cu ATOMS,
probably the one at the position 0 0 0.
It worked on my computer.
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