F   LATTICE,NONEQUIV.ATOMS   9   70 Fddd                                       
MODE OF CALC=RELA unit=bohr                                                    
 22.971511 38.512619 39.128669 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.12500000 Y=0.12500000 Z=0.37900000
          MULT= 4          ISPLIT= 8
      -1: X=0.87500000 Y=0.87500000 Z=0.62100000
      -1: X=0.87500000 Y=0.37500000 Z=0.62900000
      -1: X=0.12500000 Y=0.12500000 Z=0.87100000
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=0.62500000
          MULT= 2          ISPLIT= 8
      -2: 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  -3: X=0.12500000 Y=0.12500000 Z=0.12500000
          MULT= 2          ISPLIT= 8
      -3: 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  -4: X=0.12600000 Y=0.26200000 Z=0.00000000
          MULT= 8          ISPLIT= 8
      -4: X=0.87400000 Y=0.73800000 Z=0.00000000
      -4: X=0.37600000 Y=0.51200000 Z=0.00000000
      -4: X=0.12400000 Y=0.98800000 Z=0.00000000
      -4: X=0.87400000 Y=0.51200000 Z=0.25000000
      -4: X=0.12600000 Y=0.98800000 Z=0.25000000
      -4: X=0.12400000 Y=0.26200000 Z=0.25000000
      -4: X=0.37600000 Y=0.73800000 Z=0.25000000
Ga         NPT=  781  R0=.000050000 RMT= 2.23        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=0.41400000 Y=0.05900000 Z=0.00000000
          MULT= 8          ISPLIT= 8
      -5: X=0.58600000 Y=0.94100000 Z=0.00000000
      -5: X=0.66400000 Y=0.30900000 Z=0.00000000
      -5: X=0.83600000 Y=0.19100000 Z=0.00000000
      -5: X=0.58600000 Y=0.30900000 Z=0.25000000
      -5: X=0.41400000 Y=0.19100000 Z=0.25000000
      -5: X=0.83600000 Y=0.05900000 Z=0.25000000
      -5: X=0.66400000 Y=0.94100000 Z=0.25000000
Ga         NPT=  781  R0=.000050000 RMT= 2.23        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  -6: X=0.24500000 Y=0.34400000 Z=0.25100000
          MULT= 8          ISPLIT= 8
      -6: X=0.75500000 Y=0.65600000 Z=0.74900000
      -6: X=0.49500000 Y=0.59400000 Z=0.74900000
      -6: X=0.00500000 Y=0.90600000 Z=0.25100000
      -6: X=0.75500000 Y=0.59400000 Z=0.50100000
      -6: X=0.24500000 Y=0.90600000 Z=0.99900000
      -6: X=0.00500000 Y=0.34400000 Z=0.99900000
      -6: X=0.49500000 Y=0.65600000 Z=0.50100000
S          NPT=  781  R0=.000100000 RMT= 1.92        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  -7: X=0.01500000 Y=0.07900000 Z=0.25100000
          MULT= 8          ISPLIT= 8
      -7: X=0.98500000 Y=0.92100000 Z=0.74900000
      -7: X=0.26500000 Y=0.32900000 Z=0.74900000
      -7: X=0.23500000 Y=0.17100000 Z=0.25100000
      -7: X=0.98500000 Y=0.32900000 Z=0.50100000
      -7: X=0.01500000 Y=0.17100000 Z=0.99900000
      -7: X=0.23500000 Y=0.07900000 Z=0.99900000
      -7: X=0.26500000 Y=0.92100000 Z=0.50100000
S          NPT=  781  R0=.000100000 RMT= 1.92        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  -8: X=0.00100000 Y=0.00000000 Z=0.08300000
          MULT= 8          ISPLIT= 8
      -8: X=0.99900000 Y=0.00000000 Z=0.91700000
      -8: X=0.25100000 Y=0.25000000 Z=0.91700000
      -8: X=0.24900000 Y=0.25000000 Z=0.08300000
      -8: X=0.99900000 Y=0.25000000 Z=0.33300000
      -8: X=0.00100000 Y=0.25000000 Z=0.16700000
      -8: X=0.24900000 Y=0.00000000 Z=0.16700000
      -8: X=0.25100000 Y=0.00000000 Z=0.33300000
S          NPT=  781  R0=.000100000 RMT= 1.92        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  -9: X=0.00100000 Y=0.00000000 Z=0.41700000
          MULT= 8          ISPLIT= 8
      -9: X=0.99900000 Y=0.00000000 Z=0.58300000
      -9: X=0.25100000 Y=0.25000000 Z=0.58300000
      -9: X=0.24900000 Y=0.25000000 Z=0.41700000
      -9: X=0.99900000 Y=0.25000000 Z=0.66700000
      -9: X=0.00100000 Y=0.25000000 Z=0.83300000
      -9: X=0.24900000 Y=0.00000000 Z=0.83300000
      -9: X=0.25100000 Y=0.00000000 Z=0.66700000
S          NPT=  781  R0=.000100000 RMT= 1.92        Z:  16.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000