BR1
   0.86586   0.00000   0.00000
   0.00000   0.86586   0.00000
   0.00000   0.00000   0.24007
 BR2
   0.00000   0.86586   0.24007
   0.86586   0.00000   0.24007
   0.86586   0.86586   0.00000
inequivalent atomnumber   1 number  1 total    1
   1.00000   0.00000   0.00000
   0.00000   1.00000   0.00000
   0.00000   0.00000   1.00000
inequivalent atomnumber   1 number  2 total    2
   0.00000  -1.00000   0.00000
   1.00000   0.00000   0.00000
   0.00000   0.00000   1.00000
inequivalent atomnumber   2 number  1 total    3
   1.00000   0.00000   0.00000
   0.00000   1.00000   0.00000
   0.00000   0.00000   1.00000
inequivalent atomnumber   2 number  2 total    4
  -1.00000   0.00000   0.00000
   0.00000   1.00000   0.00000
   0.00000   0.00000  -1.00000
inequivalent atomnumber   3 number  1 total    5
   1.00000   0.00000   0.00000
   0.00000   1.00000   0.00000
   0.00000   0.00000   1.00000