TITLE s92 input file for XPREP
SOURCE  Mo  0.71073   
CHEM    C21 H35 N2 B F4 
CELL    9.26900    9.98930    14.55570    106.7727    92.3434    116.8715 
CELLSD  0.00029     0.00029     0.00059     0.0015     0.0016     0.0022