BR1
   0.67035   0.00000   0.00000
   0.00000   0.67035   0.00000
   0.00000   0.00000   0.67035
 BR2
  -0.67035   0.67035   0.67035
   0.67035  -0.67035   0.67035
   0.67035   0.67035  -0.67035
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   2 number  1 total    2
   1.00000   0.00000   0.00000
   0.00000   1.00000   0.00000
   0.00000   0.00000   1.00000