TITLE s92 input file for XPREP
SOURCE  Mo  0.71073   
CHEM    C15 H20 O5 S1 
CELL    5.46630    17.82800    8.14730    90.0000    90.4225    90.0000 
CELLSD  0.00020     0.00119     0.00050     0.0000     0.0032     0.0000