R   LATTICE,NONEQUIV.ATOMS   6  167 R-3c                                       
MODE OF CALC=RELA unit=bohr                                                    
 11.712524 11.712524 69.088389 90.000000 90.000000120.000000                   
ATOM  -1: X=0.16760000 Y=0.16760000 Z=0.16760000
          MULT= 4          ISPLIT= 4
      -1: X=0.83240000 Y=0.83240000 Z=0.83240000
      -1: X=0.66760000 Y=0.66760000 Z=0.66760000
      -1: X=0.33240000 Y=0.33240000 Z=0.33240000
Na         NPT=  781  R0=.000100000 RMT= 2.35        Z:  11.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 2          ISPLIT= 4
      -2: X=0.50000000 Y=0.50000000 Z=0.50000000
Ta         NPT=  781  R0=.000005000 RMT= 1.97        Z:  73.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.88390000 Y=0.61610000 Z=0.25000000
          MULT= 6          ISPLIT= 8
      -3: X=0.11610000 Y=0.38390000 Z=0.75000000
      -3: X=0.61610000 Y=0.25000000 Z=0.88390000
      -3: X=0.38390000 Y=0.75000000 Z=0.11610000
      -3: X=0.25000000 Y=0.88390000 Z=0.61610000
      -3: X=0.75000000 Y=0.11610000 Z=0.38390000
Ta         NPT=  781  R0=.000005000 RMT= 1.97        Z:  73.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -4: X=0.50000000 Y=0.00000000 Z=0.25000000
          MULT= 6          ISPLIT= 8
      -4: X=0.50000000 Y=0.00000000 Z=0.75000000
      -4: X=0.00000000 Y=0.25000000 Z=0.50000000
      -4: X=0.00000000 Y=0.75000000 Z=0.50000000
      -4: X=0.25000000 Y=0.50000000 Z=0.00000000
      -4: X=0.75000000 Y=0.50000000 Z=0.00000000
O          NPT=  781  R0=.000100000 RMT= 1.70        Z:   8.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -5: X=0.09390000 Y=0.09390000 Z=0.09390000
          MULT= 4          ISPLIT= 4
      -5: X=0.90610000 Y=0.90610000 Z=0.90610000
      -5: X=0.59390000 Y=0.59390000 Z=0.59390000
      -5: X=0.40610000 Y=0.40610000 Z=0.40610000
O          NPT=  781  R0=.000100000 RMT= 1.70        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.06360000 Y=0.27059000 Z=0.75860000
          MULT=12          ISPLIT= 8
      -6: X=0.93640000 Y=0.72941000 Z=0.24140000
      -6: X=0.27059000 Y=0.75860000 Z=0.06360000
      -6: X=0.72941000 Y=0.24140000 Z=0.93640000
      -6: X=0.56360000 Y=0.25860000 Z=0.77059000
      -6: X=0.43640000 Y=0.74140000 Z=0.22941000
      -6: X=0.75860000 Y=0.06360000 Z=0.27059000
      -6: X=0.24140000 Y=0.93640000 Z=0.72941000
      -6: X=0.25860000 Y=0.77059000 Z=0.56360000
      -6: X=0.74140000 Y=0.22941000 Z=0.43640000
      -6: X=0.77059000 Y=0.56360000 Z=0.25860000
      -6: X=0.22941000 Y=0.43640000 Z=0.74140000
O          NPT=  781  R0=.000100000 RMT= 1.70        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000