R   LATTICE,NONEQUIV.ATOMS   6  161 R3c                                        
MODE OF CALC=RELA unit=bohr                                                    
 40.882337 40.882337 16.425491 90.000000 90.000000120.000000                   
ATOM  -1: X=0.07900000 Y=0.04240000 Z=0.87860000
          MULT= 6          ISPLIT= 8
      -1: X=0.04240000 Y=0.87860000 Z=0.07900000
      -1: X=0.57900000 Y=0.37860000 Z=0.54240000
      -1: X=0.87860000 Y=0.07900000 Z=0.04240000
      -1: X=0.37860000 Y=0.54240000 Z=0.57900000
      -1: X=0.54240000 Y=0.57900000 Z=0.37860000
Br         NPT=  781  R0=.000050000 RMT= 2.18        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  -2: X=0.16830000 Y=0.42051000 Z=0.70690000
          MULT= 6          ISPLIT= 8
      -2: X=0.42051000 Y=0.70690000 Z=0.16830000
      -2: X=0.66830000 Y=0.20690000 Z=0.92051000
      -2: X=0.70690000 Y=0.16830000 Z=0.42051000
      -2: X=0.20690000 Y=0.92051000 Z=0.66830000
      -2: X=0.92051000 Y=0.66830000 Z=0.20690000
Br         NPT=  781  R0=.000050000 RMT= 2.18        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=0.47220000 Y=0.86979000 Z=0.93350000
          MULT= 6          ISPLIT= 8
      -3: X=0.86979000 Y=0.93350000 Z=0.47220000
      -3: X=0.97220000 Y=0.43350000 Z=0.36979000
      -3: X=0.93350000 Y=0.47220000 Z=0.86979000
      -3: X=0.43350000 Y=0.36979000 Z=0.97220000
      -3: X=0.36979000 Y=0.97220000 Z=0.43350000
Br         NPT=  781  R0=.000050000 RMT= 2.18        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  -4: X=0.49860000 Y=0.19760000 Z=0.14200000
          MULT= 6          ISPLIT= 8
      -4: X=0.19760000 Y=0.14200000 Z=0.49860000
      -4: X=0.99860000 Y=0.64200000 Z=0.69760000
      -4: X=0.14200000 Y=0.49860000 Z=0.19760000
      -4: X=0.64200000 Y=0.69760000 Z=0.99860000
      -4: X=0.69760000 Y=0.99860000 Z=0.64200000
Br         NPT=  781  R0=.000050000 RMT= 2.18        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  -5: X=0.30190000 Y=0.13050000 Z=0.91440000
          MULT= 6          ISPLIT= 8
      -5: X=0.13050000 Y=0.91440000 Z=0.30190000
      -5: X=0.80190000 Y=0.41440000 Z=0.63050000
      -5: X=0.91440000 Y=0.30190000 Z=0.13050000
      -5: X=0.41440000 Y=0.63050000 Z=0.80190000
      -5: X=0.63050000 Y=0.80190000 Z=0.41440000
Ga         NPT=  781  R0=.000050000 RMT= 2.18        Z:  31.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.10360000 Y=0.30240000 Z=0.88350000
          MULT= 6          ISPLIT= 8
      -6: X=0.30240000 Y=0.88350000 Z=0.10360000
      -6: X=0.60360000 Y=0.38350000 Z=0.80240000
      -6: X=0.88350000 Y=0.10360000 Z=0.30240000
      -6: X=0.38350000 Y=0.80240000 Z=0.60360000
      -6: X=0.80240000 Y=0.60360000 Z=0.38350000
Ga         NPT=  781  R0=.000050000 RMT= 2.18        Z:  31.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000