[phenixbb] Iridium hexamine problems with eLBOW

I experience problems generating a correct CIF file for iridium hexamine (IRI in the eLBOW database). The geometry is supposed to be octahedral and eLBOW outputs a prism regardless of the options checked in the GUI. eLBOW actually does the same for the octahedral Mg(OH2)6. Does someone know how to rule this out? Thanks to everybody. Ben -- Benoît Masquida Chargé de Recherche CNRS IBMC Strasbourg UPR 9002 ARN [email protected] +33 (0)3 88 41 70 45 +33 (0)6 70 23 79 50 +33(0)3 88 60 22 18 (fax)