[Wien] StructGen processing cif-files

[Michael Frotscher]

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Hello, Wien-ML

I try to enter compound data into Wien with the help of cif-files, which can 
be read by StructGen. Most structures work fine, but with more complicated 
ones (beta-boron, for example) I get:

First symmetry operation in _symmetry_equiv_pos_as_xyz should be unity
x-y, -y, -z

The cif-file itself is fine, I can load it into visualization programs like 
mercury or diamond.

Is there a way of modifying the file so Wien will read it correctly? I think 
someone had the same error a couple of months ago but did not get any 
answers.

Sincerely,
- -- 
Michael Frotscher
Institute of Inorganic and Applied Chemistry
University of Hamburg, Germany


 
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