R   LATTICE,NONEQUIV.ATOMS   3  166 R-3m                                       
MODE OF CALC=RELA unit=bohr                                                    
  6.971200  6.971200 59.203231 90.000000 90.000000120.000000                   
ATOM  -1: X=0.20714000 Y=0.20714000 Z=0.20714000
          MULT= 2          ISPLIT= 4
      -1: X=0.79286000 Y=0.79286000 Z=0.79286000
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=0.38960000 Y=0.38960000 Z=0.38960000
          MULT= 2          ISPLIT= 4
      -2: X=0.61040000 Y=0.61040000 Z=0.61040000
I          NPT=  781  R0=.000010000 RMT= 2.50000     Z:  53.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.13920000 Y=0.13920000 Z=0.13920000
          MULT= 2          ISPLIT= 4
      -3: X=0.86080000 Y=0.86080000 Z=0.86080000
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