TITLE s92 input file for XPREP
SOURCE  Mo  0.71073   
CHEM    C33 H29 N1 O3 P2 PT1 I2 
CELL    15.13560    17.33530    16.44390    90.0000    109.9107    90.0000 
CELLSD  0.00020     0.00029     0.00040     0.0000     0.0006     0.0000