R   LATTICE,NONEQUIV.ATOMS   3  166 R-3m                                       
MODE OF CALC=RELA unit=bohr                                                    
  6.749913  6.749913 52.156441 90.000000 90.000000120.000000                   
ATOM  -1: X=0.12050000 Y=0.12050000 Z=0.12050000
          MULT= 2          ISPLIT= 4
      -1: X=0.87950000 Y=0.87950000 Z=0.87950000
Hf         NPT=  781  R0=.000005000 RMT= 2.17        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=0.19750000 Y=0.19750000 Z=0.19750000
          MULT= 2          ISPLIT= 4
      -2: X=0.80250000 Y=0.80250000 Z=0.80250000
N          NPT=  781  R0=.000100000 RMT= 1.78        Z:   7.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.38650000 Y=0.38650000 Z=0.38650000
          MULT= 2          ISPLIT= 4
      -3: X=0.61350000 Y=0.61350000 Z=0.61350000
Cl         NPT=  781  R0=.000100000 RMT= 2.41        Z:  17.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000