R   LATTICE,NONEQUIV.ATOMS   8  166 R-3m                                       
MODE OF CALC=RELA unit=bohr                                                    
 14.329794 14.329794 88.074465 90.000000 90.000000120.000000                   
ATOM  -1: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 1          ISPLIT= 4
In         NPT=  781  R0=.000010000 RMT= 2.36        Z:  49.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.20940000 Y=0.20940000 Z=0.20940000
          MULT= 2          ISPLIT= 4
      -2: X=0.79060000 Y=0.79060000 Z=0.79060000
In         NPT=  781  R0=.000010000 RMT= 2.36        Z:  49.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.08370000 Y=0.08370000 Z=0.08370000
          MULT= 2          ISPLIT= 4
      -3: X=0.91630000 Y=0.91630000 Z=0.91630000
In         NPT=  781  R0=.000010000 RMT= 2.36        Z:  49.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.35530000 Y=0.35530000 Z=0.35530000
          MULT= 2          ISPLIT= 4
      -4: X=0.64470000 Y=0.64470000 Z=0.64470000
In         NPT=  781  R0=.000010000 RMT= 2.36        Z:  49.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.50000000 Y=0.50000000 Z=0.50000000
          MULT= 1          ISPLIT= 4
In         NPT=  781  R0=.000010000 RMT= 2.36        Z:  49.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.86886000 Y=0.36115000 Z=0.86886000
          MULT= 6          ISPLIT= 8
      -6: X=0.13114000 Y=0.63885000 Z=0.13114000
      -6: X=0.36115000 Y=0.86886000 Z=0.86886000
      -6: X=0.63885000 Y=0.13114000 Z=0.13114000
      -6: X=0.86886000 Y=0.86886000 Z=0.36115000
      -6: X=0.13114000 Y=0.13114000 Z=0.63885000
Br         NPT=  781  R0=.000050000 RMT= 2.24        Z:  35.00000              
LOCAL ROT MATRIX:    0.0000000-0.5000000 0.8660254
                     0.0000000-0.8660254-0.5000000
                     1.0000000 0.0000000 0.0000000
ATOM  -7: X=0.59765000 Y=0.11835000 Z=0.59765000
          MULT= 6          ISPLIT= 8
      -7: X=0.40235000 Y=0.88165000 Z=0.40235000
      -7: X=0.11835000 Y=0.59765000 Z=0.59765000
      -7: X=0.88165000 Y=0.40235000 Z=0.40235000
      -7: X=0.59765000 Y=0.59765000 Z=0.11835000
      -7: X=0.40235000 Y=0.40235000 Z=0.88165000
Br         NPT=  781  R0=.000050000 RMT= 2.24        Z:  35.00000              
LOCAL ROT MATRIX:    0.0000000-0.5000000 0.8660254
                     0.0000000-0.8660254-0.5000000
                     1.0000000 0.0000000 0.0000000
ATOM  -8: X=0.15680000 Y=0.15680000 Z=0.15680000
          MULT= 2          ISPLIT= 4
      -8: X=0.84320000 Y=0.84320000 Z=0.84320000
Br         NPT=  781  R0=.000050000 RMT= 2.24        Z:  35.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000