 P Ti Ba
   1.0
    13.0914709499999997    0.0000000000000000    0.0000000000000000
     0.0000000000000000   13.0914709499999997    0.0000000000000000
     0.0000000000000000    0.0000000000000000   13.0914709499999997
 P Ti Ba
  32   8  32
Direct
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   0.6050103700000000  0.3949896300000000  0.6050103700000000
   0.3949896300000000  0.6050103700000000  0.6050103700000000
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   0.1496681400000000  0.1106946600000000  0.3956958300000000
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   0.0912779600000000  0.8632470999999999  0.3508194400000000
   0.4087220400000000  0.1491805600000000  0.3632471000000000