No title 1 7.166741 0.000000 0.000000 0.000000 10.041358 0.000000 0.000000 0.000000 7.058186 Ba Zr S 4 4 12 Direct configuration= 1 0.04719448 0.25000000 0.00957840 0.54719448 0.25000000 0.49042160 0.95280552 0.75000000 0.99042160 0.45280552 0.75000000 0.50957840 0.00000000 0.00000000 0.50000000 0.50000000 0.50000000 0.00000000 0.00000000 0.50000000 0.50000000 0.50000000 0.00000000 0.00000000 0.21323393 0.53264669 0.78675555 0.71323393 0.96735331 0.71324445 0.78676607 0.03264669 0.21324445 0.28676607 0.46735331 0.28675555 0.78676607 0.46735331 0.21324445 0.28676607 0.03264669 0.28675555 0.21323393 0.96735331 0.78675555 0.71323393 0.53264669 0.71324445 0.99397466 0.25000000 0.56152773 0.49397466 0.25000000 0.93847227 0.00602534 0.75000000 0.43847227 0.50602534 0.75000000 0.06152773