%Structure STRNAME
%Job CSD refcode: CEYHUJ01

%Data
Cell   42.190  9.075  6.037  90  90  90
SpaceGroup p 21 21 21
Pattern    pd_0029.pow
Wavelength 1.54056

%fragment STRNAME.mol
%fragment atoms Cl
deletehydro

%sannel
nrun 20

%save STRNAME.expo
