# EDMA input file from WinGX 1.80.04
 
title  2010sl0005a
 
# keywords describing the file output
 
inputfile superflip.xplor
outputbase superflip
export edma.ins
centerofcharge yes
composition C52 H32 N4 F12
numberofatoms composition
plimit 1.5 sigma
 
# keywords describing crystallographic data
cell       6.2066    7.7799   21.3938   90.000   90.000   90.000
 
# Space group P 21 21 21
 
symmetry
        x1        x2        x3
    1/2-x1       -x2    1/2+x3
       -x1    1/2+x2    1/2-x3
    1/2+x1    1/2-x2       -x3
endsymmetry
centers
 0.00000 0.00000 0.00000
endcenters