 O Cd Ba
   1.0
     6.1429465700000003    0.0000000000000000    0.0000000000000000
     0.0000000000000000    3.6651443399999999    0.0000000000000000
     0.0000000000000000    0.0000000000000000   11.9625854500000006
 O Cd Ba
   8   4   4
Direct
   0.2787887100000000  0.2500000000000000  0.9826534600000000
   0.7212112900000001  0.7500000000000000  0.0173465400000000
   0.7787887099999999  0.2500000000000000  0.5173465400000000
   0.2212112900000000  0.7500000000000000  0.4826534600000000
   0.8554249400000000  0.2500000000000000  0.2511388200000000
   0.6445750600000000  0.7500000000000000  0.7511388200000000
   0.3554249400000000  0.2500000000000000  0.2488611800000000
   0.1445750600000000  0.7500000000000000  0.7488611800000000
   0.9061857600000001  0.7500000000000000  0.6065931000000000
   0.4061857600000000  0.7500000000000000  0.8934069000000000
   0.0938142400000000  0.2500000000000000  0.3934069000000000
   0.5938142399999999  0.2500000000000000  0.1065931000000000
   0.3962208700000000  0.2500000000000000  0.6425867500000000
   0.6037791299999999  0.7500000000000000  0.3574132500000000
   0.8962208700000001  0.2500000000000000  0.8574132500000000
   0.1037791300000000  0.7500000000000000  0.1425867500000000