F   LATTICE,NONEQUIV.ATOMS   9   70 Fddd                                       
MODE OF CALC=RELA unit=bohr                                                    
 24.032025 40.219041 40.678245 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.12500000 Y=0.12500000 Z=0.62500000
          MULT= 2          ISPLIT= 8
      -1: X=0.87500000 Y=0.87500000 Z=0.37500000
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=0.12500000 Y=0.12500000 Z=0.12500000
          MULT= 2          ISPLIT= 8
      -2: X=0.87500000 Y=0.87500000 Z=0.87500000
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=0.33620000 Y=0.19690000 Z=0.00450000
          MULT= 8          ISPLIT= 8
      -3: X=0.66380000 Y=0.80310000 Z=0.99550000
      -3: X=0.58620000 Y=0.44690000 Z=0.99550000
      -3: X=0.91380000 Y=0.05310000 Z=0.00450000
      -3: X=0.66380000 Y=0.44690000 Z=0.25450000
      -3: X=0.33620000 Y=0.05310000 Z=0.24550000
      -3: X=0.91380000 Y=0.19690000 Z=0.24550000
      -3: X=0.58620000 Y=0.80310000 Z=0.25450000
Ga         NPT=  781  R0=.000050000 RMT= 2.19        Z:  31.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.37820000 Y=0.01170000 Z=0.00290000
          MULT= 8          ISPLIT= 8
      -4: X=0.62180000 Y=0.98830000 Z=0.99710000
      -4: X=0.62820000 Y=0.26170000 Z=0.99710000
      -4: X=0.87180000 Y=0.23830000 Z=0.00290000
      -4: X=0.62180000 Y=0.26170000 Z=0.25290000
      -4: X=0.37820000 Y=0.23830000 Z=0.24710000
      -4: X=0.87180000 Y=0.01170000 Z=0.24710000
      -4: X=0.62820000 Y=0.98830000 Z=0.25290000
Ga         NPT=  781  R0=.000050000 RMT= 2.19        Z:  31.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.12500000 Y=0.12500000 Z=0.37560000
          MULT= 4          ISPLIT= 8
      -5: X=0.87500000 Y=0.87500000 Z=0.62440000
      -5: X=0.87500000 Y=0.37500000 Z=0.62560000
      -5: X=0.12500000 Y=0.12500000 Z=0.87440000
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  -6: X=0.00110000 Y=0.49840000 Z=0.08520000
          MULT= 8          ISPLIT= 8
      -6: X=0.99890000 Y=0.50160000 Z=0.91480000
      -6: X=0.25110000 Y=0.74840000 Z=0.91480000
      -6: X=0.24890000 Y=0.75160000 Z=0.08520000
      -6: X=0.99890000 Y=0.74840000 Z=0.33520000
      -6: X=0.00110000 Y=0.75160000 Z=0.16480000
      -6: X=0.24890000 Y=0.49840000 Z=0.16480000
      -6: X=0.25110000 Y=0.50160000 Z=0.33520000
Se         NPT=  781  R0=.000050000 RMT= 2.19        Z:  34.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -7: X=0.00410000 Y=0.25200000 Z=0.16200000
          MULT= 8          ISPLIT= 8
      -7: X=0.99590000 Y=0.74800000 Z=0.83800000
      -7: X=0.25410000 Y=0.50200000 Z=0.83800000
      -7: X=0.24590000 Y=0.99800000 Z=0.16200000
      -7: X=0.99590000 Y=0.50200000 Z=0.41200000
      -7: X=0.00410000 Y=0.99800000 Z=0.08800000
      -7: X=0.24590000 Y=0.25200000 Z=0.08800000
      -7: X=0.25410000 Y=0.74800000 Z=0.41200000
Se         NPT=  781  R0=.000050000 RMT= 2.19        Z:  34.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -8: X=0.00540000 Y=0.15800000 Z=0.00030000
          MULT= 8          ISPLIT= 8
      -8: X=0.99460000 Y=0.84200000 Z=0.99970000
      -8: X=0.25540000 Y=0.40800000 Z=0.99970000
      -8: X=0.24460000 Y=0.09200000 Z=0.00030000
      -8: X=0.99460000 Y=0.40800000 Z=0.25030000
      -8: X=0.00540000 Y=0.09200000 Z=0.24970000
      -8: X=0.24460000 Y=0.15800000 Z=0.24970000
      -8: X=0.25540000 Y=0.84200000 Z=0.25030000
Se         NPT=  781  R0=.000050000 RMT= 2.19        Z:  34.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -9: X=0.26310000 Y=0.33140000 Z=0.24820000
          MULT= 8          ISPLIT= 8
      -9: X=0.73690000 Y=0.66860000 Z=0.75180000
      -9: X=0.51310000 Y=0.58140000 Z=0.75180000
      -9: X=0.98690000 Y=0.91860000 Z=0.24820000
      -9: X=0.73690000 Y=0.58140000 Z=0.49820000
      -9: X=0.26310000 Y=0.91860000 Z=0.00180000
      -9: X=0.98690000 Y=0.33140000 Z=0.00180000
      -9: X=0.51310000 Y=0.66860000 Z=0.49820000
Se         NPT=  781  R0=.000050000 RMT= 2.19        Z:  34.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000