R   LATTICE,NONEQUIV.ATOMS   4  167 R-3c                                       
MODE OF CALC=RELA unit=bohr                                                    
 19.610634 19.610634 22.900834 90.000000 90.000000120.000000                   
ATOM  -1: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 2          ISPLIT= 4
      -1: X=0.50000000 Y=0.50000000 Z=0.50000000
Bi         NPT=  781  R0=.000005000 RMT= 2.19        Z:  83.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.60169000 Y=0.89831000 Z=0.25000000
          MULT= 6          ISPLIT= 8
      -2: X=0.39831000 Y=0.10169000 Z=0.75000000
      -2: X=0.89831000 Y=0.25000000 Z=0.60169000
      -2: X=0.10169000 Y=0.75000000 Z=0.39831000
      -2: X=0.25000000 Y=0.60169000 Z=0.89831000
      -2: X=0.75000000 Y=0.39831000 Z=0.10169000
Ba         NPT=  781  R0=.000010000 RMT= 2.49        Z:  56.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -3: X=0.25000000 Y=0.25000000 Z=0.25000000
          MULT= 2          ISPLIT= 4
      -3: X=0.75000000 Y=0.75000000 Z=0.75000000
Na         NPT=  781  R0=.000100000 RMT= 2.34        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  -4: X=0.27690000 Y=0.94711000 Z=0.08160000
          MULT=12          ISPLIT= 8
      -4: X=0.72310000 Y=0.05289000 Z=0.91840000
      -4: X=0.94711000 Y=0.08160000 Z=0.27690000
      -4: X=0.05289000 Y=0.91840000 Z=0.72310000
      -4: X=0.77690000 Y=0.58160000 Z=0.44711000
      -4: X=0.22310000 Y=0.41840000 Z=0.55289000
      -4: X=0.08160000 Y=0.27690000 Z=0.94711000
      -4: X=0.91840000 Y=0.72310000 Z=0.05289000
      -4: X=0.58160000 Y=0.44711000 Z=0.77690000
      -4: X=0.41840000 Y=0.55289000 Z=0.22310000
      -4: X=0.44711000 Y=0.77690000 Z=0.58160000
      -4: X=0.55289000 Y=0.22310000 Z=0.41840000
O          NPT=  781  R0=.000100000 RMT= 1.79        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000