 Ba In Se
   1.0
    12.2471939899999995    0.0000000000000000    0.0000000000000000
     0.0000000000000000   13.5877845700000002    0.0000000000000000
     0.0000000000000000    0.0000000000000000   13.1197205100000005
 Ba In Se
  16  16  40
Direct
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