 O Al Si Ba
   1.0
     8.5771337200000008    0.0000000000000000   -0.0028693700000000
     0.0000000000000000    9.6251316800000009    0.0000000000000000
    -0.0288119300000000    0.0000000000000000    9.1026631800000004
 O Al Si Ba
  32   8   8   4
Direct
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