R   LATTICE,NONEQUIV.ATOMS   6  166 R-3m    
MODE OF CALC=RELA unit=bohr
 19.575673 19.575673 20.960840 90.000000 90.000000120.000000
ATOM  -1: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 1          ISPLIT=15
Pb         NPT=  781  R0=.000005000 RMT=   2.00000   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=0.33050000 Y=0.33050000 Z=0.33050000
          MULT= 2          ISPLIT=15
      -2: X=0.66950000 Y=0.66950000 Z=0.66950000
Pb         NPT=  781  R0=.000005000 RMT=   2.00000   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=0.85026000 Y=0.14974000 Z=0.50000000
          MULT= 6          ISPLIT=15
      -3: X=0.14974000 Y=0.85026000 Z=0.50000000
      -3: X=0.14974000 Y=0.50000000 Z=0.85026000
      -3: X=0.85026000 Y=0.50000000 Z=0.14974000
      -3: X=0.50000000 Y=0.85026000 Z=0.14974000
      -3: X=0.50000000 Y=0.14974000 Z=0.85026000
Re         NPT=  781  R0=.000005000 RMT=   2.00000   Z:  75.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.90600000 Y=0.62000000 Z=0.90600000
          MULT= 6          ISPLIT=15
      -4: X=0.09400000 Y=0.38000000 Z=0.09400000
      -4: X=0.62000000 Y=0.90600000 Z=0.90600000
      -4: X=0.38000000 Y=0.09400000 Z=0.09400000
      -4: X=0.90600000 Y=0.90600000 Z=0.62000000
      -4: X=0.09400000 Y=0.09400000 Z=0.38000000
O          NPT=  781  R0=.000100000 RMT=   2.00000   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=0.62480000 Y=0.16839000 Z=0.62480000
          MULT= 6          ISPLIT=15
      -5: X=0.37520000 Y=0.83161000 Z=0.37520000
      -5: X=0.16839000 Y=0.62480000 Z=0.62480000
      -5: X=0.83161000 Y=0.37520000 Z=0.37520000
      -5: X=0.62480000 Y=0.62480000 Z=0.16839000
      -5: X=0.37520000 Y=0.37520000 Z=0.83161000
O          NPT=  781  R0=.000100000 RMT=   2.00000   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=0.28700000 Y=0.71300000 Z=0.00000000
          MULT= 6          ISPLIT=15
      -6: X=0.71300000 Y=0.28700000 Z=0.00000000
      -6: X=0.71300000 Y=0.00000000 Z=0.28700000
      -6: X=0.28700000 Y=0.00000000 Z=0.71300000
      -6: X=0.00000000 Y=0.28700000 Z=0.71300000
      -6: X=0.00000000 Y=0.71300000 Z=0.28700000
O          NPT=  781  R0=.000100000 RMT=   2.00000   Z:   8.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000