 Au Br
   1.0
     7.0064258400000003    0.0000000000000000    0.0000000000000000
     0.0000000000000000    7.0064258400000003    0.0000000000000000
     0.0000000000000000    0.0000000000000000    8.9629371199999994
 Au Br
   8   8
Direct
   0.7500000000000000  0.5000000000000000  0.8750000000000000
   0.0000000000000000  0.2500000000000000  0.6250000000000000
   0.5000000000000000  0.2500000000000000  0.1250000000000000
   0.2500000000000000  0.5000000000000000  0.8750000000000000
   0.2500000000000000  0.0000000000000000  0.3750000000000000
   0.5000000000000000  0.7500000000000000  0.1250000000000000
   0.0000000000000000  0.7500000000000000  0.6250000000000000
   0.7500000000000000  0.0000000000000000  0.3750000000000000
   0.5000000000000000  0.0000000000000000  0.9408614300000000
   0.5000000000000000  0.5000000000000000  0.6908614300000000
   0.0000000000000000  0.0000000000000000  0.8091385700000000
   0.0000000000000000  0.5000000000000000  0.0591385700000000
   0.0000000000000000  0.5000000000000000  0.4408614300000000
   0.0000000000000000  0.0000000000000000  0.1908614300000000
   0.5000000000000000  0.5000000000000000  0.3091385700000000
   0.5000000000000000  0.0000000000000000  0.5591385700000000