BR1 0.86564 0.00000 0.00000 -0.00000 0.86564 0.00000 -0.00000 -0.00000 0.86564 BR2 0.86564 0.00000 0.00000 -0.00000 0.86564 0.00000 -0.00000 -0.00000 0.86564 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 inequivalent atomnumber 3 number 1 total 3 -1.00000 0.00000 0.00000 0.00000 -1.00000 0.00000 0.00000 0.00000 -1.00000 inequivalent atomnumber 3 number 2 total 4 0.00000 -1.00000 0.00000 -1.00000 0.00000 0.00000 0.00000 0.00000 -1.00000 inequivalent atomnumber 3 number 3 total 5 0.00000 -1.00000 0.00000 0.00000 0.00000 -1.00000 -1.00000 0.00000 0.00000