 Ba Br O
   1.0
    12.8505003500000008    0.0000000000000000    0.0000000000000000
     0.0000000000000000    6.2788932199999996    0.0000000000000000
     0.0000000000000000    0.0000000000000000   10.7166186099999994
 Ba Br O
  12   8   8
Direct
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   0.0808892700000000  0.2500000000000000  0.5545813100000000
   0.2059911600000000  0.7500000000000000  0.3484029900000000
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   0.4191107300000000  0.7500000000000000  0.0545813100000000
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   0.5396315100000000  0.2500000000000000  0.3013555600000000
   0.5808892700000000  0.2500000000000000  0.9454186900000000
   0.7059911600000000  0.7500000000000000  0.1515970100000000
   0.7940088400000000  0.2500000000000000  0.6515970099999999
   0.9191107300000000  0.7500000000000000  0.4454186900000000
   0.9603684900000000  0.7500000000000000  0.8013555600000000
   0.1370371100000000  0.7500000000000000  0.0429074600000000
   0.2009470900000000  0.7500000000000000  0.6699370600000000
   0.2990529100000000  0.2500000000000000  0.1699370600000000
   0.3629628900000000  0.2500000000000000  0.5429074600000000
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   0.7009470900000000  0.7500000000000000  0.8300629400000000
   0.7990529100000000  0.2500000000000000  0.3300629400000000
   0.8629628900000000  0.2500000000000000  0.9570925400000000
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   0.0668895300000000  0.5012273000000000  0.3678792400000000
   0.4331104700000000  0.0012273000000000  0.8678792399999999
   0.4331104700000000  0.4987727000000000  0.8678792399999999
   0.5668895300000000  0.9987727000000000  0.1321207600000000
   0.5668895300000000  0.5012273000000000  0.1321207600000000
   0.9331104700000000  0.4987727000000000  0.6321207600000001
   0.9331104700000000  0.0012273000000000  0.6321207600000001