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 0.25000000 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 0.01991264 0.45080553 0.75000000 0.51141164 0.95080553 0.75000000 0.98858836 0.54919447 0.25000000 0.48858836