F   LATTICE,NONEQUIV.ATOMS   4  225 Fm-3m                                      
MODE OF CALC=RELA unit=bohr                                                    
 20.647148 20.647148 20.647148 90.000000 90.000000 90.000000                   
ATOM   1: X=0.25000000 Y=0.25000000 Z=0.25000000
          MULT= 2          ISPLIT= 2
       1: X=0.75000000 Y=0.75000000 Z=0.75000000
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=0.22470000 Y=0.00000000 Z=0.00000000
          MULT= 6          ISPLIT=-2
      -2: X=0.77530000 Y=0.00000000 Z=0.00000000
      -2: X=0.00000000 Y=0.22470000 Z=0.00000000
      -2: X=0.00000000 Y=0.77530000 Z=0.00000000
      -2: X=0.00000000 Y=0.00000000 Z=0.22470000
      -2: X=0.00000000 Y=0.00000000 Z=0.77530000
Zr         NPT=  781  R0=.000010000 RMT= 2.09        Z:  40.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     0.0000000 1.0000000 0.0000000
                    -1.0000000 0.0000000 0.0000000
ATOM  -3: X=0.11200000 Y=0.11200000 Z=0.11200000
          MULT= 8          ISPLIT= 4
      -3: X=0.88800000 Y=0.88800000 Z=0.88800000
      -3: X=0.88800000 Y=0.11200000 Z=0.11200000
      -3: X=0.11200000 Y=0.88800000 Z=0.88800000
      -3: X=0.88800000 Y=0.88800000 Z=0.11200000
      -3: X=0.11200000 Y=0.11200000 Z=0.88800000
      -3: X=0.11200000 Y=0.88800000 Z=0.11200000
      -3: X=0.88800000 Y=0.11200000 Z=0.88800000
O          NPT=  781  R0=.000100000 RMT= 1.90        Z:   8.00000              
LOCAL ROT MATRIX:    0.4082483-0.7071068 0.5773503
                     0.4082483 0.7071068 0.5773503
                    -0.8164966 0.0000000 0.5773503
ATOM  -4: X=0.50000000 Y=0.16700000 Z=0.16700000
          MULT=12          ISPLIT= 8
      -4: X=0.50000000 Y=0.83300000 Z=0.83300000
      -4: X=0.83300000 Y=0.50000000 Z=0.16700000
      -4: X=0.16700000 Y=0.50000000 Z=0.83300000
      -4: X=0.16700000 Y=0.50000000 Z=0.16700000
      -4: X=0.83300000 Y=0.50000000 Z=0.83300000
      -4: X=0.50000000 Y=0.83300000 Z=0.16700000
      -4: X=0.50000000 Y=0.16700000 Z=0.83300000
      -4: X=0.16700000 Y=0.83300000 Z=0.50000000
      -4: X=0.83300000 Y=0.16700000 Z=0.50000000
      -4: X=0.16700000 Y=0.16700000 Z=0.50000000
      -4: X=0.83300000 Y=0.83300000 Z=0.50000000
F          NPT=  781  R0=.000100000 RMT= 1.99        Z:   9.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                    -0.7071068 0.0000000 0.7071068
                     0.7071068 0.0000000 0.7071068