 B O Ti Ba
   1.0
     8.7843908099999997    0.0000000000000000    0.0000000000000000
    -4.3921954000000003    7.6075055999999996    0.0000000000000000
     0.0000000000000000    0.0000000000000000    3.8119646899999999
 B O Ti Ba
   2  12   3   3
Direct
   0.6666666700000000  0.3333333300000000  0.0000000000000000
   0.3333333300000000  0.6666666700000000  0.0000000000000000
   0.4957812600000000  0.8156508300000000  0.0000000000000000
   0.8156508300000000  0.4957812600000000  0.0000000000000000
   0.6801304300000000  0.1843491700000000  0.0000000000000000
   0.5042187400000000  0.3198695700000000  0.0000000000000000
   0.3198695700000000  0.5042187400000000  0.0000000000000000
   0.1843491700000000  0.6801304300000000  0.0000000000000000
   0.7348169400000000  0.0000000000000000  0.5000000000000000
   0.0000000000000000  0.7348169400000000  0.5000000000000000
   0.2651830600000000  0.2651830600000000  0.5000000000000000
   0.1853127700000000  0.0000000000000000  0.0000000000000000
   0.0000000000000000  0.1853127700000000  0.0000000000000000
   0.8146872300000000  0.8146872300000000  0.0000000000000000
   0.2354659100000000  0.2354659100000000  0.0000000000000000
   0.0000000000000000  0.7645340899999999  0.0000000000000000
   0.7645340899999999  0.0000000000000000  0.0000000000000000
   0.5965528500000000  0.5965528500000000  0.5000000000000000
   0.0000000000000000  0.4034471500000000  0.5000000000000000
   0.4034471500000000  0.0000000000000000  0.5000000000000000