[Wien] converting cif

[Kirk Feindel]

Hi

I've been atempting to convert a ".cif" file with StructGen.  However, I obtain the error below:

>First symmetry operation in _symmetry_equiv_pos_as_xyz should be unity
>x-y, -y, -z+1/2  

I notice that in other structure files the symmetry operations are in the form of rotation matrices.  But, "cif" files use the xyz format.  Does StructGen convert the xyz form to rotation matrices?

Does anyone know what may be wrong with my cif file?

thanks

Kirk


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Kirk Feindel
E3-48 Chemistry Centre
Department of Chemistry
University of Alberta
(780) 492-3818
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