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Re: CIF: Getting a structure drawing program to create a "legal" CIF?

  • Subject: Re: CIF: Getting a structure drawing program to create a "legal" CIF?
  • From: Douglas du Boulay <ddb@xxxxxxxxxxxxxxxxxx>
  • Date: Thu, 21 Dec 2000 02:50:32 GMT
> 
> loop_
> _atom_site_label
> _atom_site_fract_x
> _atom_site_fract_y
> _atom_site_fract_z
> _atom_site_U_iso_or_equiv
> As1      0.17662   0.00740   0.25574   0.03748  Uani

I think your example CIF is broken here because you 
are missing the  _atom_site_adp_type  tag from the 
tag list. 


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