 Li Si B
   1.0
     6.0776724000000000    0.0000000000000000    0.0000000000000000
     0.0000000000000000   10.9615037500000003    0.0000000000000000
     0.0000000000000000    0.0000000000000000    8.4026881499999995
 Li Si B
   8   8  48
Direct
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   0.0000000000000000  0.8482567900000000  0.4437263800000000
   0.7347417900000000  0.5791519100000000  0.4686858000000000
   0.2652582100000000  0.5791519100000000  0.4686858000000000