No title                                
           1
     7.166741    0.000000    0.000000
     0.000000   10.041358    0.000000
     0.000000    0.000000    7.058186
   S    Zr   Ba
    12     4     4
Direct configuration=     1
   0.21113750  0.53470735  0.78884100
   0.28886250  0.46529265  0.28884100
   0.78886250  0.03470735  0.21115900
   0.71113750  0.96529265  0.71115900
   0.78886250  0.46529265  0.21115900
   0.71113750  0.53470735  0.71115900
   0.21113750  0.96529265  0.78884100
   0.28886250  0.03470735  0.28884100
   0.99327694  0.25199200  0.56506456
   0.50672306  0.75000000  0.06506456
   0.00672306  0.75000000  0.43493544
   0.49327694  0.25000000  0.93493544
   0.00000000  0.00000000  0.50000000
   0.50000000  0.00000000  0.00000000
   0.00000000  0.50000000  0.50000000
   0.50000000  0.50000000  0.00000000
   0.04919447  0.25000000  0.01141164
   0.45080553  0.75000000  0.51141164
   0.95080553  0.75000000  0.98858836
   0.54919447  0.25000000  0.48858836