 O As Ba
   1.0
     5.1489264900000000    0.0000000000000000    0.0000000000000000
     0.0000000000000000    5.1489264900000000    0.0000000000000000
     0.0000000000000000    0.0000000000000000   17.1660175300000013
 O As Ba
   2   4   8
Direct
   0.5000000000000000  0.5000000000000000  0.0000000000000000
   0.0000000000000000  0.0000000000000000  0.5000000000000000
   0.0000000000000000  0.0000000000000000  0.1354946200000000
   0.5000000000000000  0.5000000000000000  0.3645053800000000
   0.5000000000000000  0.5000000000000000  0.6354946200000000
   0.0000000000000000  0.0000000000000000  0.8645053800000000
   0.0000000000000000  0.0000000000000000  0.3248421700000000
   0.5000000000000000  0.5000000000000000  0.1751578300000000
   0.5000000000000000  0.0000000000000000  0.0000000000000000
   0.0000000000000000  0.5000000000000000  0.0000000000000000
   0.5000000000000000  0.5000000000000000  0.8248421700000000
   0.0000000000000000  0.0000000000000000  0.6751578300000001
   0.0000000000000000  0.5000000000000000  0.5000000000000000
   0.5000000000000000  0.0000000000000000  0.5000000000000000