 O Ti Ba Nd
   1.0
     5.9751610700000004    0.0000000000000000    0.0000000000000000
    -2.9875805400000002    5.1746412800000003    0.0000000000000000
     0.0000000000000000    0.0000000000000000   30.1734656500000007
 O Ti Ba Nd
  34   8  12   4
Direct
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