 Si P Ba
   1.0
    12.9570515499999992    0.0000000000000000    0.0000000000000000
     0.0000000000000000   12.9570515499999992    0.0000000000000000
     0.0000000000000000    0.0000000000000000   12.9570515499999992
 Si P Ba
   8  32  32
Direct
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   0.5000000000000000  0.2500000000000000  0.0000000000000000
   0.0000000000000000  0.5000000000000000  0.2500000000000000
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   0.0000000000000000  0.0000000000000000  0.0000000000000000
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   0.3538839000000000  0.9068514400000000  0.1333391800000000
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   0.8538720500000000  0.1461279500000000  0.8538720500000000
   0.6461279500000000  0.6461279500000000  0.6461279500000000