[Wien] C2/m (#SG 12) space group structure

Hi, I have a problem setting a monoclinic structure. I am following the user's guide instructions, so I've transformed the structure (attached as a CIF file) to B-centered using SETSTRU: Initial Setting: C12/m1 (12) 12 21.205 12.530 3.859 90 93.30 90 13 S 1 8j 0.9308700.881900

Re: [Wien] C2/m (#SG 12) space group structure

I think your struct file will be okay if you select for the lattice in StructGen spacegroup 12_B2/m instead of CXZ, and of course, use setrmt again after changing to 12_B2/m. Sure, you should be able to specify 'all' the atomic positions in the general CXZ lattice to get the same structure.