[Wien] K_{0.3}MoO_{3} unit cell

[Lukasz Plucinski]

Dear WIEN users!

Recently I was trying to prepare the struct file for Blue Potassium
Molybdenum Bronze K_{0.3}MoO_{3}. There are 86 atoms in the unit cell and
the published papers never give all the positions but only 16 of them - I
was hoping WIEN could automatically complete the structure if it knows the
space group...

It seems to be difficult and I have 2 questions:

1. K_{0.3}MoO_{3} has a C2/m space group #12. Seems that only group #12
B2/m is implemented in WIEN/w2web - can I use B2/m for my struct file? (I
am not expert in space groups - sorry if question is too simple)

2. Which option from WIEN2k should I use to prepare struct file - is it
'P' or 'CXZ' or maybe '12_B2/m' mentioned above?

Finally maybe there is somebody who already prepared similar
struct file - having some hints would be very helpful for me.

Regards,

Lukasz