 Ba H Br O
   1.0
    10.4358196700000008    0.0000000000000000    0.0518710200000000
     0.0000000000000000    6.9837495599999997    0.0000000000000000
    -3.3187490300000002    0.0000000000000000    7.5850331799999999
 Ba H Br O
   4  16   8   8
Direct
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   0.0000000000000000  0.1023017700000000  0.7500000000000000
   0.5000000000000000  0.3976982300000000  0.2500000000000000
   0.5000000000000000  0.6023017700000000  0.7500000000000000
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   0.0768567500000000  0.3201254100000000  0.1351870900000000
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   0.4131642100000000  0.1785500600000000  0.5537741500000000
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   0.4231432500000000  0.1798745900000000  0.8648129099999999
   0.2176575200000000  0.5199258900000000  0.3540134700000000
   0.7823424800000001  0.5199258900000000  0.1459865300000000
   0.7823424800000001  0.4800741100000000  0.6459865300000001
   0.2176575200000000  0.4800741100000000  0.8540134699999999
   0.7176575199999999  0.0199258900000000  0.3540134700000000
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   0.2823424800000000  0.9800741100000000  0.6459865300000001
   0.7176575199999999  0.9800741100000000  0.8540134699999999
   0.0053407500000000  0.2427956300000000  0.4402411800000000
   0.9946592500000000  0.2427956300000000  0.0597588200000000
   0.9946592500000000  0.7572043700000000  0.5597588200000000
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