<HTML><BODY style="word-wrap: break-word; -khtml-nbsp-mode: space; -khtml-line-break: after-white-space; ">Rad,<DIV>if you converted them into fractional (scaled coordinates) you can't use UNITS ANGSTROM..</DIV><DIV>you've to use the </DIV><DIV><BR class="khtml-block-placeholder"></DIV><DIV>SCALED_ANGSTROM or SCALED_BOHR</DIV><DIV><BR class="khtml-block-placeholder"></DIV><DIV>according if the cell dimension provided is in ANGSTROM or BOHR</DIV><DIV>Teo</DIV><DIV><BR class="khtml-block-placeholder"></DIV><DIV><BR><DIV><DIV>On 15 Oct 2007, at 14:51, Rad wrote:</DIV><BR class="Apple-interchange-newline"><BLOCKQUOTE type="cite"><P style="margin: 0.0px 0.0px 0.0px 0.0px"><FONT face="Helvetica" size="3" style="font: 12.0px Helvetica"><SPAN class="Apple-converted-space"> </SPAN>&SUBSYS</FONT></P> <P style="margin: 0.0px 0.0px 0.0px 0.0px"><FONT face="Helvetica" size="3" style="font: 12.0px Helvetica"><SPAN class="Apple-converted-space"> </SPAN>&CELL</FONT></P> <P style="margin: 0.0px 0.0px 0.0px 0.0px"><FONT face="Helvetica" size="3" style="font: 12.0px Helvetica"><SPAN class="Apple-converted-space"> </SPAN>ABC<SPAN class="Apple-converted-space"> </SPAN>9.3027 <SPAN class="Apple-converted-space"> </SPAN>9.3027 <SPAN class="Apple-converted-space"> </SPAN>6.6403</FONT></P> <P style="margin: 0.0px 0.0px 0.0px 0.0px"><FONT face="Helvetica" size="3" style="font: 12.0px Helvetica"><SPAN class="Apple-converted-space"> </SPAN>UNITS<SPAN class="Apple-converted-space"> </SPAN>ANGSTROM</FONT></P> <P style="margin: 0.0px 0.0px 0.0px 0.0px"><FONT face="Helvetica" size="3" style="font: 12.0px Helvetica"><SPAN class="Apple-converted-space"> </SPAN>PERIODIC<SPAN class="Apple-converted-space"> </SPAN>XYZ</FONT></P> <P style="margin: 0.0px 0.0px 0.0px 0.0px"><FONT face="Helvetica" size="3" style="font: 12.0px Helvetica"><SPAN class="Apple-converted-space"> </SPAN>&END CELL</FONT></P> <P style="margin: 0.0px 0.0px 0.0px 0.0px"><FONT face="Helvetica" size="3" style="font: 12.0px Helvetica"><SPAN class="Apple-converted-space"> </SPAN>&COORD</FONT></P> <P style="margin: 0.0px 0.0px 0.0px 0.0px"><FONT face="Helvetica" size="3" style="font: 12.0px Helvetica">C<SPAN class="Apple-converted-space"> </SPAN>0.499964<SPAN class="Apple-converted-space"> </SPAN>0.499964 <SPAN class="Apple-converted-space"> </SPAN>0</FONT></P> <P style="margin: 0.0px 0.0px 0.0px 0.0px"><FONT face="Helvetica" size="3" style="font: 12.0px Helvetica">C<SPAN class="Apple-converted-space"> </SPAN>0.622509<SPAN class="Apple-converted-space"> </SPAN>0.561774 <SPAN class="Apple-converted-space"> </SPAN>0.128007</FONT></P> </BLOCKQUOTE></DIV><BR></DIV></BODY></HTML>