TITLE s92 input file for XPREP
SOURCE  Mo  0.71073   
CHEM    C24 H21 N2 O4 Cl1 S1 
CELL    10.48340    16.50760    12.73740    90.0000    96.5195    90.0000 
CELLSD  0.00040     0.00070     0.00029     0.0000     0.0022     0.0000