 O Si Ba
   1.0
     7.5091818600000000    0.0000000000000000    0.0000000000000000
     0.0000000000000000    5.7833030900000004    0.0000000000000000
     0.0000000000000000    0.0000000000000000   10.2336546100000003
 O Si Ba
  16   4   8
Direct
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   0.3086256200000000  0.4833416900000000  0.8501456700000000
   0.1913743800000000  0.5166583100000000  0.3501456700000000
   0.8086256199999999  0.0166583100000000  0.6498543299999999
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   0.6913743800000001  0.5166583100000000  0.1498543300000000
   0.8086256199999999  0.4833416900000000  0.6498543299999999
   0.1913743800000000  0.9833416900000000  0.3501456700000000
   0.3073445600000000  0.2500000000000000  0.0722070000000000
   0.6926554400000000  0.7500000000000000  0.9277930000000000
   0.8073445600000000  0.2500000000000000  0.4277930000000000
   0.1926554400000000  0.7500000000000000  0.5722070000000000
   0.4900178700000000  0.7500000000000000  0.4156565400000000
   0.5099821300000000  0.2500000000000000  0.5843434599999999
   0.9900178700000000  0.7500000000000000  0.0843434600000000
   0.0099821300000000  0.2500000000000000  0.9156565400000000
   0.2282624000000000  0.2500000000000000  0.9206978299999999
   0.7717376000000000  0.7500000000000000  0.0793021700000000
   0.7282624000000000  0.2500000000000000  0.5793021700000001
   0.2717376000000000  0.7500000000000000  0.4206978300000000
   0.9910074300000000  0.2500000000000000  0.1932728800000000
   0.0089925700000000  0.7500000000000000  0.8067271200000000
   0.4910074300000000  0.2500000000000000  0.3067271200000000
   0.5089925700000000  0.7500000000000000  0.6932728800000000
   0.1588120100000000  0.2500000000000000  0.5836684599999999
   0.8411879900000000  0.7500000000000000  0.4163315400000000
   0.6588120100000000  0.2500000000000000  0.9163315400000001
   0.3411879900000000  0.7500000000000000  0.0836684600000000