R   LATTICE,NONEQUIV.ATOMS   6  167 R-3c                                       
MODE OF CALC=RELA unit=bohr                                                    
 11.769026 11.769026 69.402838 90.000000 90.000000120.000000                   
ATOM  -1: X=0.16840000 Y=0.16840000 Z=0.16840000
          MULT= 4          ISPLIT= 4
      -1: X=0.83160000 Y=0.83160000 Z=0.83160000
      -1: X=0.66840000 Y=0.66840000 Z=0.66840000
      -1: X=0.33160000 Y=0.33160000 Z=0.33160000
Na         NPT=  781  R0=.000100000 RMT= 2.36        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=0.88570000 Y=0.61430000 Z=0.25000000
          MULT= 6          ISPLIT= 8
      -2: X=0.11430000 Y=0.38570000 Z=0.75000000
      -2: X=0.61430000 Y=0.25000000 Z=0.88570000
      -2: X=0.38570000 Y=0.75000000 Z=0.11430000
      -2: X=0.25000000 Y=0.88570000 Z=0.61430000
      -2: X=0.75000000 Y=0.11430000 Z=0.38570000
Nb         NPT=  781  R0=.000010000 RMT= 1.94        Z:  41.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -3: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 2          ISPLIT= 4
      -3: X=0.50000000 Y=0.50000000 Z=0.50000000
Nb         NPT=  781  R0=.000010000 RMT= 1.94        Z:  41.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.05914000 Y=0.27953000 Z=0.75334000
          MULT=12          ISPLIT= 8
      -4: X=0.94086000 Y=0.72047000 Z=0.24666000
      -4: X=0.27953000 Y=0.75334000 Z=0.05914000
      -4: X=0.72047000 Y=0.24666000 Z=0.94086000
      -4: X=0.55914000 Y=0.25334000 Z=0.77953000
      -4: X=0.44086000 Y=0.74666000 Z=0.22047000
      -4: X=0.75334000 Y=0.05914000 Z=0.27953000
      -4: X=0.24666000 Y=0.94086000 Z=0.72047000
      -4: X=0.25334000 Y=0.77953000 Z=0.55914000
      -4: X=0.74666000 Y=0.22047000 Z=0.44086000
      -4: X=0.77953000 Y=0.55914000 Z=0.25334000
      -4: X=0.22047000 Y=0.44086000 Z=0.74666000
O          NPT=  781  R0=.000100000 RMT= 1.75        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  -5: X=0.49820000 Y=0.00180000 Z=0.25000000
          MULT= 6          ISPLIT= 8
      -5: X=0.50180000 Y=0.99820000 Z=0.75000000
      -5: X=0.00180000 Y=0.25000000 Z=0.49820000
      -5: X=0.99820000 Y=0.75000000 Z=0.50180000
      -5: X=0.25000000 Y=0.49820000 Z=0.00180000
      -5: X=0.75000000 Y=0.50180000 Z=0.99820000
O          NPT=  781  R0=.000100000 RMT= 1.75        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  -6: X=0.09353000 Y=0.09353000 Z=0.09353000
          MULT= 4          ISPLIT= 4
      -6: X=0.90647000 Y=0.90647000 Z=0.90647000
      -6: X=0.59353000 Y=0.59353000 Z=0.59353000
      -6: X=0.40647000 Y=0.40647000 Z=0.40647000
O          NPT=  781  R0=.000100000 RMT= 1.75        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000