TITLE s92 input file for XPREP SOURCE Mo 0.71073 CHEM C11 H15 N2 P1 F6 CELL 9.20170 16.07310 18.27820 90.0000 90.0000 90.0000 CELLSD 0.00010 0.00029 0.00040 0.0000 0.0000 0.0000