 H O Cl Ba
   1.0
    12.5335892999999992    0.0000000000000000   -0.0035771900000000
     0.0000000000000000    7.8540964799999999    0.0000000000000000
    -5.9005691499999999    0.0000000000000000    6.6174887800000004
 H O Cl Ba
   8  28   8   4
Direct
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