TITLE s92 input file for XPREP
SOURCE  Mo  0.71073   
CHEM    C13 H19 N2 B F4 
CELL    8.67740    9.01760    10.07400    107.6248    96.1965    102.8708 
CELLSD  0.00029     0.00029     0.00029     0.0016     0.0019     0.0022