R   LATTICE,NONEQUIV.ATOMS   7  148 R-3     
MODE OF CALC=RELA unit=bohr
 29.629393 29.629393 15.728374 90.000000 90.000000120.000000
ATOM  -1: X=0.32300000 Y=0.41221000 Z=0.83110000
          MULT= 6          ISPLIT=15
      -1: X=0.67700000 Y=0.58779000 Z=0.16890000
      -1: X=0.41221000 Y=0.83110000 Z=0.32300000
      -1: X=0.58779000 Y=0.16890000 Z=0.67700000
      -1: X=0.83110000 Y=0.32300000 Z=0.41221000
      -1: X=0.16890000 Y=0.67700000 Z=0.58779000
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=0.33330000 Y=0.22770000 Z=0.00060000
          MULT= 6          ISPLIT=15
      -2: X=0.66670000 Y=0.77230000 Z=0.99940000
      -2: X=0.22770000 Y=0.00060000 Z=0.33330000
      -2: X=0.77230000 Y=0.99940000 Z=0.66670000
      -2: X=0.00060000 Y=0.33330000 Z=0.22770000
      -2: X=0.99940000 Y=0.66670000 Z=0.77230000
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  -3: X=0.50160000 Y=0.10430000 Z=0.11200000
          MULT= 6          ISPLIT=15
      -3: X=0.49840000 Y=0.89570000 Z=0.88800000
      -3: X=0.10430000 Y=0.11200000 Z=0.50160000
      -3: X=0.89570000 Y=0.88800000 Z=0.49840000
      -3: X=0.11200000 Y=0.50160000 Z=0.10430000
      -3: X=0.88800000 Y=0.49840000 Z=0.89570000
P          NPT=  781  R0=.000100000 RMT=   2.00000   Z:  15.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.53400000 Y=0.49490000 Z=0.30310000
          MULT= 6          ISPLIT=15
      -4: X=0.46600000 Y=0.50510000 Z=0.69690000
      -4: X=0.49490000 Y=0.30310000 Z=0.53400000
      -4: X=0.50510000 Y=0.69690000 Z=0.46600000
      -4: X=0.30310000 Y=0.53400000 Z=0.49490000
      -4: X=0.69690000 Y=0.46600000 Z=0.50510000
P          NPT=  781  R0=.000100000 RMT=   2.00000   Z:  15.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.12360000 Y=0.49539000 Z=0.70660000
          MULT= 6          ISPLIT=15
      -5: X=0.87640000 Y=0.50461000 Z=0.29340000
      -5: X=0.49539000 Y=0.70660000 Z=0.12360000
      -5: X=0.50461000 Y=0.29340000 Z=0.87640000
      -5: X=0.70660000 Y=0.12360000 Z=0.49539000
      -5: X=0.29340000 Y=0.87640000 Z=0.50461000
P          NPT=  781  R0=.000100000 RMT=   2.00000   Z:  15.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.09940000 Y=0.27800000 Z=0.88840000
          MULT= 6          ISPLIT=15
      -6: X=0.90060000 Y=0.72200000 Z=0.11160000
      -6: X=0.27800000 Y=0.88840000 Z=0.09940000
      -6: X=0.72200000 Y=0.11160000 Z=0.90060000
      -6: X=0.88840000 Y=0.09940000 Z=0.27800000
      -6: X=0.11160000 Y=0.90060000 Z=0.72200000
P          NPT=  781  R0=.000100000 RMT=   2.00000   Z:  15.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -7: X=0.13300000 Y=0.13300000 Z=0.13300000
          MULT= 2          ISPLIT=15
      -7: X=0.86700000 Y=0.86700000 Z=0.86700000
P          NPT=  781  R0=.000100000 RMT=   2.00000   Z:  15.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000