> Can anyone help me with a CIF file for Pyrrhotite 4C. The CIF output
> from ICSD #42491 gives SG 15 setting F12/d1 which is not recognized by
> TOPAS.
ICSD http://icsdweb.fiz-karlsruhe.de/ also gives a more recent entry for
Fe7S8 Pyrrhotite 4C in setting C12/c1 (if you have access to the full
d
Hi Doug
You can add new setting in the file SGCOM5.CPP where entries are in the form
of computer adapted symbols by Uri Shmueli, Acta Cryst. (1984). A40,
559-567.
I am probably wrong but my guess for F12/d1 is
FMCI1A000P2D003
where I used the a+b face-diagonal rotation matrix of 2D, c
