Ba Ti  O  H 
 1.0000000000000000
    11.9729322047481066    0.0000000000000000    0.0025297367636978
     0.0000000000000000   11.9406099564592374    0.0000000000000000
     0.0025267469069965    0.0000000000000000   12.0075830425609293
 Ba  Ti  O   H  
  27  27  79   1
Cartesian
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