R   LATTICE,NONEQUIV.ATOMS   5  148 R-3                                        
MODE OF CALC=RELA unit=bohr                                                    
 13.616611 13.616611 35.436143 90.000000 90.000000120.000000                   
ATOM  -1: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 1          ISPLIT= 4
Pb         NPT=  781  R0=.000005000 RMT= 2.50000     Z:  82.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.20317000 Y=0.20317000 Z=0.20317000
          MULT= 2          ISPLIT= 4
      -2: X=0.79683000 Y=0.79683000 Z=0.79683000
Ba         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  56.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.63280000 Y=0.24550000 Z=0.38140000
          MULT= 6          ISPLIT= 8
      -3: X=0.36720000 Y=0.75450000 Z=0.61860000
      -3: X=0.24550000 Y=0.38140000 Z=0.63280000
      -3: X=0.75450000 Y=0.61860000 Z=0.36720000
      -3: X=0.38140000 Y=0.63280000 Z=0.24550000
      -3: X=0.61860000 Y=0.36720000 Z=0.75450000
B          NPT=  781  R0=.000100000 RMT= 1.15        Z:   5.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.35710000 Y=0.83501000 Z=0.08560000
          MULT= 6          ISPLIT= 8
      -4: X=0.64290000 Y=0.16499000 Z=0.91440000
      -4: X=0.83501000 Y=0.08560000 Z=0.35710000
      -4: X=0.16499000 Y=0.91440000 Z=0.64290000
      -4: X=0.08560000 Y=0.35710000 Z=0.83501000
      -4: X=0.91440000 Y=0.64290000 Z=0.16499000
O          NPT=  781  R0=.000100000 RMT= 1.34        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=0.58700000 Y=0.45410000 Z=0.20990000
          MULT= 6          ISPLIT= 8
      -5: X=0.41300000 Y=0.54590000 Z=0.79010000
      -5: X=0.45410000 Y=0.20990000 Z=0.58700000
      -5: X=0.54590000 Y=0.79010000 Z=0.41300000
      -5: X=0.20990000 Y=0.58700000 Z=0.45410000
      -5: X=0.79010000 Y=0.41300000 Z=0.54590000
O          NPT=  781  R0=.000100000 RMT= 1.34        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000