F   LATTICE,NONEQUIV.ATOMS   9   70 Fddd                                       
MODE OF CALC=RELA unit=bohr                                                    
 22.725846 37.892788 38.102548 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
Ca         NPT=  781  R0=.000050000 RMT= 2.50000     Z:  20.00000              
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
Ca         NPT=  781  R0=.000050000 RMT= 2.50000     Z:  20.00000              
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=0.37240000
          MULT= 4          ISPLIT= 8
      -3: X=0.87500000 Y=0.87500000 Z=0.62760000
      -3: X=0.87500000 Y=0.37500000 Z=0.62240000
      -3: X=0.12500000 Y=0.12500000 Z=0.87760000
Ca         NPT=  781  R0=.000050000 RMT= 2.50000     Z:  20.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.16440000 Y=0.30290000 Z=0.00160000
          MULT= 8          ISPLIT= 8
      -4: X=0.83560000 Y=0.69710000 Z=0.99840000
      -4: X=0.41440000 Y=0.55290000 Z=0.99840000
      -4: X=0.08560000 Y=0.94710000 Z=0.00160000
      -4: X=0.83560000 Y=0.55290000 Z=0.25160000
      -4: X=0.16440000 Y=0.94710000 Z=0.24840000
      -4: X=0.08560000 Y=0.30290000 Z=0.24840000
      -4: X=0.41440000 Y=0.69710000 Z=0.25160000
Al         NPT=  781  R0=.000100000 RMT= 2.12        Z:  13.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.37690000 Y=0.01190000 Z=0.00040000
          MULT= 8          ISPLIT= 8
      -5: X=0.62310000 Y=0.98810000 Z=0.99960000
      -5: X=0.62690000 Y=0.26190000 Z=0.99960000
      -5: X=0.87310000 Y=0.23810000 Z=0.00040000
      -5: X=0.62310000 Y=0.26190000 Z=0.25040000
      -5: X=0.37690000 Y=0.23810000 Z=0.24960000
      -5: X=0.87310000 Y=0.01190000 Z=0.24960000
      -5: X=0.62690000 Y=0.98810000 Z=0.25040000
Al         NPT=  781  R0=.000100000 RMT= 2.12        Z:  13.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.00430000 Y=0.50220000 Z=0.08380000
          MULT= 8          ISPLIT= 8
      -6: X=0.99570000 Y=0.49780000 Z=0.91620000
      -6: X=0.25430000 Y=0.75220000 Z=0.91620000
      -6: X=0.24570000 Y=0.74780000 Z=0.08380000
      -6: X=0.99570000 Y=0.75220000 Z=0.33380000
      -6: X=0.00430000 Y=0.74780000 Z=0.16620000
      -6: X=0.24570000 Y=0.50220000 Z=0.16620000
      -6: X=0.25430000 Y=0.49780000 Z=0.33380000
S          NPT=  781  R0=.000100000 RMT= 2.02        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=0.00220000 Y=0.00200000 Z=0.08450000
          MULT= 8          ISPLIT= 8
      -7: X=0.99780000 Y=0.99800000 Z=0.91550000
      -7: X=0.25220000 Y=0.25200000 Z=0.91550000
      -7: X=0.24780000 Y=0.24800000 Z=0.08450000
      -7: X=0.99780000 Y=0.25200000 Z=0.33450000
      -7: X=0.00220000 Y=0.24800000 Z=0.16550000
      -7: X=0.24780000 Y=0.00200000 Z=0.16550000
      -7: X=0.25220000 Y=0.99800000 Z=0.33450000
S          NPT=  781  R0=.000100000 RMT= 2.02        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=0.25290000 Y=0.09390000 Z=0.00230000
          MULT= 8          ISPLIT= 8
      -8: X=0.74710000 Y=0.90610000 Z=0.99770000
      -8: X=0.50290000 Y=0.34390000 Z=0.99770000
      -8: X=0.99710000 Y=0.15610000 Z=0.00230000
      -8: X=0.74710000 Y=0.34390000 Z=0.25230000
      -8: X=0.25290000 Y=0.15610000 Z=0.24770000
      -8: X=0.99710000 Y=0.09390000 Z=0.24770000
      -8: X=0.50290000 Y=0.90610000 Z=0.25230000
S          NPT=  781  R0=.000100000 RMT= 2.02        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=0.26310000 Y=0.32960000 Z=0.25100000
          MULT= 8          ISPLIT= 8
      -9: X=0.73690000 Y=0.67040000 Z=0.74900000
      -9: X=0.51310000 Y=0.57960000 Z=0.74900000
      -9: X=0.98690000 Y=0.92040000 Z=0.25100000
      -9: X=0.73690000 Y=0.57960000 Z=0.50100000
      -9: X=0.26310000 Y=0.92040000 Z=0.99900000
      -9: X=0.98690000 Y=0.32960000 Z=0.99900000
      -9: X=0.51310000 Y=0.67040000 Z=0.50100000
S          NPT=  781  R0=.000100000 RMT= 2.02        Z:  16.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000