F   LATTICE,NONEQUIV.ATOMS   9   70 Fddd                                       
MODE OF CALC=RELA unit=bohr                                                    
 22.909150 38.474824 39.338429 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
Sr         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  38.00000              
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
Sr         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  38.00000              
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=0.37320000
          MULT= 4          ISPLIT= 8
      -3: X=0.87500000 Y=0.87500000 Z=0.62680000
      -3: X=0.87500000 Y=0.37500000 Z=0.62320000
      -3: X=0.12500000 Y=0.12500000 Z=0.87680000
Sr         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  38.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.16530000 Y=0.30290000 Z=0.00030000
          MULT= 8          ISPLIT= 8
      -4: X=0.83470000 Y=0.69710000 Z=0.99970000
      -4: X=0.41530000 Y=0.55290000 Z=0.99970000
      -4: X=0.08470000 Y=0.94710000 Z=0.00030000
      -4: X=0.83470000 Y=0.55290000 Z=0.25030000
      -4: X=0.16530000 Y=0.94710000 Z=0.24970000
      -4: X=0.08470000 Y=0.30290000 Z=0.24970000
      -4: X=0.41530000 Y=0.69710000 Z=0.25030000
Al         NPT=  781  R0=.000100000 RMT= 2.14        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=0.37800000 Y=0.01240000 Z=0.00000000
          MULT= 8          ISPLIT= 8
      -5: X=0.62200000 Y=0.98760000 Z=0.00000000
      -5: X=0.62800000 Y=0.26240000 Z=0.00000000
      -5: X=0.87200000 Y=0.23760000 Z=0.00000000
      -5: X=0.62200000 Y=0.26240000 Z=0.25000000
      -5: X=0.37800000 Y=0.23760000 Z=0.25000000
      -5: X=0.87200000 Y=0.01240000 Z=0.25000000
      -5: X=0.62800000 Y=0.98760000 Z=0.25000000
Al         NPT=  781  R0=.000100000 RMT= 2.14        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=0.00310000 Y=0.50170000 Z=0.08130000
          MULT= 8          ISPLIT= 8
      -6: X=0.99690000 Y=0.49830000 Z=0.91870000
      -6: X=0.25310000 Y=0.75170000 Z=0.91870000
      -6: X=0.24690000 Y=0.74830000 Z=0.08130000
      -6: X=0.99690000 Y=0.75170000 Z=0.33130000
      -6: X=0.00310000 Y=0.74830000 Z=0.16870000
      -6: X=0.24690000 Y=0.50170000 Z=0.16870000
      -6: X=0.25310000 Y=0.49830000 Z=0.33130000
S          NPT=  781  R0=.000100000 RMT= 2.03        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=0.00130000 Y=0.00220000 Z=0.08150000
          MULT= 8          ISPLIT= 8
      -7: X=0.99870000 Y=0.99780000 Z=0.91850000
      -7: X=0.25130000 Y=0.25220000 Z=0.91850000
      -7: X=0.24870000 Y=0.24780000 Z=0.08150000
      -7: X=0.99870000 Y=0.25220000 Z=0.33150000
      -7: X=0.00130000 Y=0.24780000 Z=0.16850000
      -7: X=0.24870000 Y=0.00220000 Z=0.16850000
      -7: X=0.25130000 Y=0.99780000 Z=0.33150000
S          NPT=  781  R0=.000100000 RMT= 2.03        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=0.25890000 Y=0.09590000 Z=0.00110000
          MULT= 8          ISPLIT= 8
      -8: X=0.74110000 Y=0.90410000 Z=0.99890000
      -8: X=0.50890000 Y=0.34590000 Z=0.99890000
      -8: X=0.99110000 Y=0.15410000 Z=0.00110000
      -8: X=0.74110000 Y=0.34590000 Z=0.25110000
      -8: X=0.25890000 Y=0.15410000 Z=0.24890000
      -8: X=0.99110000 Y=0.09590000 Z=0.24890000
      -8: X=0.50890000 Y=0.90410000 Z=0.25110000
S          NPT=  781  R0=.000100000 RMT= 2.03        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=0.26390000 Y=0.32550000 Z=0.24930000
          MULT= 8          ISPLIT= 8
      -9: X=0.73610000 Y=0.67450000 Z=0.75070000
      -9: X=0.51390000 Y=0.57550000 Z=0.75070000
      -9: X=0.98610000 Y=0.92450000 Z=0.24930000
      -9: X=0.73610000 Y=0.57550000 Z=0.49930000
      -9: X=0.26390000 Y=0.92450000 Z=0.00070000
      -9: X=0.98610000 Y=0.32550000 Z=0.00070000
      -9: X=0.51390000 Y=0.67450000 Z=0.49930000
S          NPT=  781  R0=.000100000 RMT= 2.03        Z:  16.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000