O Ti 
 1.0000000000000000
     8.9772909048028389    0.0000000000000000    0.0986796690330721
     0.0000000000000000    3.9844996662781429    0.0000000000000000
    -9.0771391918416455    0.0000000000000000    8.8187285245549489
 O   Ti 
  20  12
Selective dynamics
Cartesian
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