[Wien] How to determine the positions of atoms in cell?

[panzhijun2002 at sjtu.edu.cn]

Hi,professor:
   Please tell me the general way to determine the positions of atoms in a cell.For example,in the TiO2.struct,the position of Ti is (0,0,0),and that of O is (0.3, 0.3, 0).However I look up the structure of TiO2 in the INTERNATIONAL TABLES FOR CRYSTALLOGRAPHY and know that the position of O is different with that provided by the USER GUIDE OF WIEN2K in page 138. Please help me.Thank you very much.