TITLE s92 input file for XPREP
SOURCE  Mo  0.71073   
CHEM    C12 H12 I2 N2 S2 
CELL    9.82360    27.42060    10.33350    90.0000    111.1134    90.0000 
CELLSD  0.00020     0.00090     0.00029     0.0000     0.0016     0.0000