R   LATTICE,NONEQUIV.ATOMS   4  166 R-3m    
MODE OF CALC=RELA unit=bohr
 19.286923 19.286923 38.461593 90.000000 90.000000120.000000
ATOM  -1: X=0.64626000 Y=0.88625000 Z=0.64626000
          MULT= 6          ISPLIT=15
      -1: X=0.35374000 Y=0.11375000 Z=0.35374000
      -1: X=0.88625000 Y=0.64626000 Z=0.64626000
      -1: X=0.11375000 Y=0.35374000 Z=0.35374000
      -1: X=0.64626000 Y=0.64626000 Z=0.88625000
      -1: X=0.35374000 Y=0.35374000 Z=0.11375000
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=0.49510000 Y=0.17699000 Z=0.49510000
          MULT= 6          ISPLIT=15
      -2: X=0.50490000 Y=0.82301000 Z=0.50490000
      -2: X=0.17699000 Y=0.49510000 Z=0.49510000
      -2: X=0.82301000 Y=0.50490000 Z=0.50490000
      -2: X=0.49510000 Y=0.49510000 Z=0.17699000
      -2: X=0.50490000 Y=0.50490000 Z=0.82301000
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=0.72920000 Y=0.04599000 Z=0.72920000
          MULT= 6          ISPLIT=15
      -3: X=0.27080000 Y=0.95401000 Z=0.27080000
      -3: X=0.04599000 Y=0.72920000 Z=0.72920000
      -3: X=0.95401000 Y=0.27080000 Z=0.27080000
      -3: X=0.72920000 Y=0.72920000 Z=0.04599000
      -3: X=0.27080000 Y=0.27080000 Z=0.95401000
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=0.87900000 Y=0.41191000 Z=0.87900000
          MULT= 6          ISPLIT=15
      -4: X=0.12100000 Y=0.58809000 Z=0.12100000
      -4: X=0.41191000 Y=0.87900000 Z=0.87900000
      -4: X=0.58809000 Y=0.12100000 Z=0.12100000
      -4: X=0.87900000 Y=0.87900000 Z=0.41191000
      -4: X=0.12100000 Y=0.12100000 Z=0.58809000
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