TITLE s92 input file for XPREP SOURCE Mo 0.71073 CHEM C21 H21 N4 O2 S2 Ni2 Cl1 CELL 8.24310 17.01790 19.43840 74.3854 83.1426 82.0302 CELLSD 0.00050 0.00110 0.00119 0.0022 0.0031 0.0035