[Wien] Fwd: Query regarding the structure generation

[Subhasis Panda]

Dear experts,

I was trying to generate the structure for Rb6Pb5Cl16.  It consists of
atoms (multiplicity wyckoff letter) Rb1 (4h), Rb2 (4g), Rb3 (2a), Pb1 (4e),
Pb/Rb (8k), Cl1 (16l), Cl2 (8j), Cl3 (4g), Cl4 (4f) and space group is
P4/mbm. If I generate this structure with this information I am getting
Rb10Pb12Cl32. I have tried to split the Pb/Rb (8k) into Pb (6 no) and Rb (2
no), found that nn generates a new struct file and space group changes to
c2/m.  I am not understanding where I am wrong. Looking forward for some
help.




Thank you in advance.


-- 
With regards
Anupriya Nyayban
Ph.D. Scholar
Department of Physics
NIT Silchar
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