R   LATTICE,NONEQUIV.ATOMS   3  166 R-3m                                       
MODE OF CALC=RELA unit=bohr                                                    
  6.821912  6.821912 55.357639 90.000000 90.000000120.000000                   
ATOM  -1: X=0.21096000 Y=0.21096000 Z=0.21096000
          MULT= 2          ISPLIT= 4
      -1: X=0.78904000 Y=0.78904000 Z=0.78904000
Hf         NPT=  781  R0=.000005000 RMT= 2.20        Z:  72.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.38850000 Y=0.38850000 Z=0.38850000
          MULT= 2          ISPLIT= 4
      -2: X=0.61150000 Y=0.61150000 Z=0.61150000
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
ATOM  -3: X=0.13710000 Y=0.13710000 Z=0.13710000
          MULT= 2          ISPLIT= 4
      -3: X=0.86290000 Y=0.86290000 Z=0.86290000
N          NPT=  781  R0=.000100000 RMT= 1.80        Z:   7.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000