HI Andrea,

My suggestion, if you know where all the atoms are in the unit cell, is to use

space group P1. It may be tedious and brute force in nature, but you won't have
to worry about origin choices or non-standard space groups. You will still know

which atoms are equivalent and can pick an appropriate one as your target atom.

regards,
Robert

On Fri, Dec 5, 2014 at 8:07 AM, Sanson Andrea <andrea.sanson@unipd.it> wrote:

Dear all

does anyone know if is it possible to create with ATOMS
the non-standard space group P 21/n ?

Space group keywords are listed at the atoms website
http://iffwww.iff.kfa-juelich.de/icp/atoms/atoms.sgml-7.html#ss7.4
but no keyword for P 21/n group is available.

Thanks for any suggestion.
Best regards,
AS

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