R   LATTICE,NONEQUIV.ATOMS   5  166 R-3m                                       
MODE OF CALC=RELA unit=bohr                                                    
 10.387825 10.387825 39.427246 90.000000 90.000000120.000000                   
ATOM  -1: X=0.20167000 Y=0.20167000 Z=0.20167000
          MULT= 2          ISPLIT= 4
      -1: X=0.79833000 Y=0.79833000 Z=0.79833000
K          NPT=  781  R0=.000050000 RMT= 2.50000     Z:  19.00000              
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= 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  -3: X=0.40330000 Y=0.40330000 Z=0.40330000
          MULT= 2          ISPLIT= 4
      -3: X=0.59670000 Y=0.59670000 Z=0.59670000
S          NPT=  781  R0=.000100000 RMT= 1.34        Z:  16.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.33300000 Y=0.33300000 Z=0.33300000
          MULT= 2          ISPLIT= 4
      -4: X=0.66700000 Y=0.66700000 Z=0.66700000
O          NPT=  781  R0=.000100000 RMT= 1.41        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=0.72100000 Y=0.27701000 Z=0.72100000
          MULT= 6          ISPLIT= 8
      -5: X=0.27900000 Y=0.72299000 Z=0.27900000
      -5: X=0.27701000 Y=0.72100000 Z=0.72100000
      -5: X=0.72299000 Y=0.27900000 Z=0.27900000
      -5: X=0.72100000 Y=0.72100000 Z=0.27701000
      -5: X=0.27900000 Y=0.27900000 Z=0.72299000
O          NPT=  781  R0=.000100000 RMT= 1.41        Z:   8.00000              
LOCAL ROT MATRIX:    0.0000000-0.5000000 0.8660254
                     0.0000000-0.8660254-0.5000000
                     1.0000000 0.0000000 0.0000000