R   LATTICE,NONEQUIV.ATOMS   2  166 R-3m                                       
MODE OF CALC=RELA unit=bohr                                                    
  6.619900  6.619900 53.046501 90.000000 90.000000120.000000                   
ATOM  -1: X=0.29080000 Y=0.29080000 Z=0.29080000
          MULT= 2          ISPLIT= 4
      -1: X=0.70920000 Y=0.70920000 Z=0.70920000
Zr         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  40.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.10830000 Y=0.10830000 Z=0.10830000
          MULT= 2          ISPLIT= 4
      -2: X=0.89170000 Y=0.89170000 Z=0.89170000
Br         NPT=  781  R0=.000050000 RMT= 2.50000     Z:  35.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000