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 0.21323393 0.53264669 0.78675555 0.28676607 0.46735331 0.28675555 0.78676607 0.03264669 0.21324445 0.71323393 0.96735331 0.71324445 0.78676607 0.46735331 0.21324445 0.71323393 0.53264669 0.71324445 0.21323393 0.96735331 0.78675555 0.28676607 0.03264669 0.28675555 0.99397466 0.25000000 0.56152773 0.50602534 0.75000000 0.06152773 0.00602534 0.75000000 0.43847227 0.49397466 0.25000000 0.93847227 0.00000000 0.00000000 0.50000000 0.50000000 0.00000000 0.00000000 0.00000000 0.50000000 0.50000000 0.50000000 0.50000000 0.00000000 0.04719448 0.25000000 0.00957840 0.45280552 0.75000000 0.50957840 0.95280552 0.75000000 0.99042160 0.54719448 0.25000000 0.49042160 Direct configuration= 2 0.21296989 0.53286989 0.78689130 0.28703011 0.46713011 0.28689130 0.78703011 0.03286989 0.21310870 0.71296989 0.96713011 0.71310870 0.78703011 0.46713011 0.21310870 0.71296989 0.53286989 0.71310870 0.21296989 0.96713011 0.78689130 0.28703011 0.03286989 0.28689130 0.99392334 0.25000000 0.56172670 0.50607666 0.75000000 0.06172670 0.00607666 0.75000000 0.43827330 0.49392334 0.25000000 0.93827330 -0.00000000 -0.00000000 0.50000000 0.50000000 -0.00000000 0.00000000 -0.00000000 0.50000000 0.50000000 0.50000000 0.50000000 0.00000000 0.04719582 0.25000000 0.00980396 0.45280418 0.75000000 0.50980396 0.95280418 0.75000000 0.99019604 0.54719582 0.25000000 0.49019604 Direct configuration= 3 0.21203600 0.53373897 0.78754602 0.28796400 0.46626103 0.28754602 0.78796400 0.03373897 0.21245398 0.71203600 0.96626103 0.71245398 0.78796400 0.46626103 0.21245398 0.71203600 0.53373897 0.71245398 0.21203600 0.96626103 0.78754602 0.28796400 0.03373897 0.28754602 0.99369881 0.25000000 0.56267954 0.50630119 0.75000000 0.06267954 0.00630119 0.75000000 0.43732046 0.49369881 0.25000000 0.93732046 0.00000000 -0.00000000 0.50000000 0.50000000 -0.00000000 0.00000000 0.00000000 0.50000000 0.50000000 0.50000000 0.50000000 0.00000000 0.04737495 0.25000000 0.01064963 0.45262505 0.75000000 0.51064963 0.95262505 0.75000000 0.98935037 0.54737495 0.25000000 0.48935037 Direct configuration= 4 0.21168852 0.53413648 0.78807855 0.28831148 0.46586352 0.28807855 0.78831148 0.03413648 0.21192145 0.71168852 0.96586352 0.71192145 0.78831148 0.46586352 0.21192145 0.71168852 0.53413648 0.71192145 0.21168852 0.96586352 0.78807855 0.28831148 0.03413648 0.28807855 0.99353818 0.25000000 0.56358575 0.50646182 0.75000000 0.06358575 0.00646182 0.75000000 0.43641425 0.49353818 0.25000000 0.93641425 0.00000000 0.00000000 0.50000000 0.50000000 0.00000000 0.00000000 0.00000000 0.50000000 0.50000000 0.50000000 0.50000000 0.00000000 0.04796140 0.25000000 0.01096329 0.45203860 0.75000000 0.51096329 0.95203860 0.75000000 0.98903671 0.54796140 0.25000000 0.48903671 Direct configuration= 5 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 0.01141164 0.45080553 0.75000000 0.51141164 0.95080553 0.75000000 0.98858836 0.54919447 0.25000000 0.48858836