R   LATTICE,NONEQUIV.ATOMS   5  166 R-3m                                       
MODE OF CALC=RELA unit=bohr                                                    
 14.361919 14.361919 78.829924 90.000000 90.000000120.000000                   
ATOM  -1: X=0.95200000 Y=0.34700000 Z=0.95200000
          MULT= 6          ISPLIT= 8
      -1: X=0.04800000 Y=0.65300000 Z=0.04800000
      -1: X=0.34700000 Y=0.95200000 Z=0.95200000
      -1: X=0.65300000 Y=0.04800000 Z=0.04800000
      -1: X=0.95200000 Y=0.95200000 Z=0.34700000
      -1: X=0.04800000 Y=0.04800000 Z=0.65300000
Nb         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  41.00000              
LOCAL ROT MATRIX:    0.0000000-0.5000000 0.8660254
                     0.0000000-0.8660254-0.5000000
                     1.0000000 0.0000000 0.0000000
ATOM  -2: X=0.79260000 Y=0.29761000 Z=0.79260000
          MULT= 6          ISPLIT= 8
      -2: X=0.20740000 Y=0.70239000 Z=0.20740000
      -2: X=0.29761000 Y=0.79260000 Z=0.79260000
      -2: X=0.70239000 Y=0.20740000 Z=0.20740000
      -2: X=0.79260000 Y=0.79260000 Z=0.29761000
      -2: X=0.20740000 Y=0.20740000 Z=0.70239000
I          NPT=  781  R0=.000010000 RMT= 2.50000     Z:  53.00000              
LOCAL ROT MATRIX:    0.0000000-0.5000000 0.8660254
                     0.0000000-0.8660254-0.5000000
                     1.0000000 0.0000000 0.0000000
ATOM  -3: X=0.61740000 Y=0.12841000 Z=0.61740000
          MULT= 6          ISPLIT= 8
      -3: X=0.38260000 Y=0.87159000 Z=0.38260000
      -3: X=0.12841000 Y=0.61740000 Z=0.61740000
      -3: X=0.87159000 Y=0.38260000 Z=0.38260000
      -3: X=0.61740000 Y=0.61740000 Z=0.12841000
      -3: X=0.38260000 Y=0.38260000 Z=0.87159000
I          NPT=  781  R0=.000010000 RMT= 2.50000     Z:  53.00000              
LOCAL ROT MATRIX:    0.0000000-0.5000000 0.8660254
                     0.0000000-0.8660254-0.5000000
                     1.0000000 0.0000000 0.0000000
ATOM  -4: X=0.28380000 Y=0.28380000 Z=0.28380000
          MULT= 2          ISPLIT= 4
      -4: X=0.71620000 Y=0.71620000 Z=0.71620000
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  -5: X=0.13540000 Y=0.13540000 Z=0.13540000
          MULT= 2          ISPLIT= 4
      -5: X=0.86460000 Y=0.86460000 Z=0.86460000
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