I tried merging the two dictionaries for the tcod. I removed what looked like duplicate entries form the cif_dft.dic and cleaned up the cif_tcod.dic a little bit. Nevertheless, the cif_tcod is by any means final and we should continue cleaning it up and adding the necessary entries. 

Best,

LV
--
Linas Vilciauskas
Postdoctoral Research Fellow
Dept. of Chemistry
New York University
100 Washington Square East / 830BB
New York, NY 10003
linas.vilciauskas@nyu.edu
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