 S Ti Ba
   1.0
     9.0457869100000003    0.0000000000000000    0.0000000000000000
     0.0000000000000000    6.7280262600000000    0.0000000000000000
     0.0000000000000000    0.0000000000000000   12.2787555699999995
 S Ti Ba
  16   4   8
Direct
   0.3077170400000000  0.2500000000000000  0.8999765300000000
   0.6922829600000000  0.7500000000000000  0.1000234700000000
   0.8077170400000000  0.2500000000000000  0.6000234700000000
   0.1922829600000000  0.7500000000000000  0.3999765300000000
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   0.1655427100000000  0.0116889300000000  0.6503097600000001
   0.3344572900000000  0.9883110700000000  0.1503097600000000
   0.6655427100000000  0.4883110700000000  0.8496902400000000
   0.1655427100000000  0.4883110700000000  0.6503097600000001
   0.8344572900000000  0.9883110700000000  0.3496902400000000
   0.6655427100000000  0.0116889300000000  0.8496902400000000
   0.3344572900000000  0.5116889300000000  0.1503097600000000
   0.0183123400000000  0.7500000000000000  0.9060177900000000
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   0.5183123400000000  0.7500000000000000  0.5939822100000001
   0.4816876600000000  0.2500000000000000  0.4060177900000000
   0.2286895100000000  0.2500000000000000  0.0733314700000000
   0.7713104900000000  0.7500000000000000  0.9266685300000000
   0.7286895099999999  0.2500000000000000  0.4266685300000000
   0.2713104900000000  0.7500000000000000  0.5733314700000001
   0.1325252100000000  0.2500000000000000  0.4183921000000000
   0.8674747899999999  0.7500000000000000  0.5816079000000001
   0.6325252100000001  0.2500000000000000  0.0816079000000000
   0.3674747900000000  0.7500000000000000  0.9183921000000000
   0.4748893600000000  0.2500000000000000  0.6719229000000000
   0.5251106400000001  0.7500000000000000  0.3280771000000000
   0.9748893600000000  0.2500000000000000  0.8280771000000000
   0.0251106400000000  0.7500000000000000  0.1719229000000000