R   LATTICE,NONEQUIV.ATOMS   4  166 R-3m    
MODE OF CALC=RELA unit=bohr
 19.520872 19.520872 38.474823 90.000000 90.000000120.000000
ATOM  -1: X=0.64590000 Y=0.88691000 Z=0.64590000
          MULT= 6          ISPLIT=15
      -1: X=0.35410000 Y=0.11309000 Z=0.35410000
      -1: X=0.88691000 Y=0.64590000 Z=0.64590000
      -1: X=0.11309000 Y=0.35410000 Z=0.35410000
      -1: X=0.64590000 Y=0.64590000 Z=0.88691000
      -1: X=0.35410000 Y=0.35410000 Z=0.11309000
Re         NPT=  781  R0=.000005000 RMT=   2.00000   Z:  75.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.49390000 Y=0.18149000 Z=0.49390000
          MULT= 6          ISPLIT=15
      -2: X=0.50610000 Y=0.81851000 Z=0.50610000
      -2: X=0.18149000 Y=0.49390000 Z=0.49390000
      -2: X=0.81851000 Y=0.50610000 Z=0.50610000
      -2: X=0.49390000 Y=0.49390000 Z=0.18149000
      -2: X=0.50610000 Y=0.50610000 Z=0.81851000
Cl         NPT=  781  R0=.000100000 RMT=   2.00000   Z:  17.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.74210000 Y=0.02931000 Z=0.74210000
          MULT= 6          ISPLIT=15
      -3: X=0.25790000 Y=0.97069000 Z=0.25790000
      -3: X=0.02931000 Y=0.74210000 Z=0.74210000
      -3: X=0.97069000 Y=0.25790000 Z=0.25790000
      -3: X=0.74210000 Y=0.74210000 Z=0.02931000
      -3: X=0.25790000 Y=0.25790000 Z=0.97069000
Cl         NPT=  781  R0=.000100000 RMT=   2.00000   Z:  17.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.87980000 Y=0.40440000 Z=0.87980000
          MULT= 6          ISPLIT=15
      -4: X=0.12020000 Y=0.59560000 Z=0.12020000
      -4: X=0.40440000 Y=0.87980000 Z=0.87980000
      -4: X=0.59560000 Y=0.12020000 Z=0.12020000
      -4: X=0.87980000 Y=0.87980000 Z=0.40440000
      -4: X=0.12020000 Y=0.12020000 Z=0.59560000
Cl         NPT=  781  R0=.000100000 RMT=   2.00000   Z:  17.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000