TITLE s92 input file for XPREP
SOURCE  Mo  0.71073   
CHEM    C21 H21 O2 N4 S2 Ni2 F 
CELL    11.61460    13.34200    16.36990    90.0000    90.0000    90.0000 
CELLSD  0.00020     0.00040     0.00040     0.0000     0.0000     0.0000