F   LATTICE,NONEQUIV.ATOMS   5  227 Fd-3m                                      
MODE OF CALC=RELA unit=bohr                                                    
 28.024639 28.024639 28.024639 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.48400000 Y=0.12500000 Z=0.12500000
          MULT=12          ISPLIT= 8
      -1: X=0.51600000 Y=0.87500000 Z=0.87500000
      -1: X=0.87500000 Y=0.73400000 Z=0.37500000
      -1: X=0.12500000 Y=0.76600000 Z=0.12500000
      -1: X=0.12500000 Y=0.48400000 Z=0.12500000
      -1: X=0.87500000 Y=0.51600000 Z=0.87500000
      -1: X=0.76600000 Y=0.12500000 Z=0.12500000
      -1: X=0.73400000 Y=0.37500000 Z=0.87500000
      -1: X=0.37500000 Y=0.87500000 Z=0.73400000
      -1: X=0.12500000 Y=0.12500000 Z=0.76600000
      -1: X=0.12500000 Y=0.12500000 Z=0.48400000
      -1: X=0.87500000 Y=0.87500000 Z=0.51600000
Al         NPT=  781  R0=.000100000 RMT= 2.29        Z:  13.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     0.7071068 0.7071068 0.0000000
                    -0.7071068 0.7071068 0.0000000
ATOM  -2: X=0.05800000 Y=0.05800000 Z=0.32500000
          MULT=24          ISPLIT= 8
      -2: X=0.94200000 Y=0.94200000 Z=0.67500000
      -2: X=0.94200000 Y=0.30800000 Z=0.57500000
      -2: X=0.05800000 Y=0.19200000 Z=0.92500000
      -2: X=0.32500000 Y=0.05800000 Z=0.05800000
      -2: X=0.67500000 Y=0.94200000 Z=0.94200000
      -2: X=0.19200000 Y=0.19200000 Z=0.32500000
      -2: X=0.30800000 Y=0.30800000 Z=0.67500000
      -2: X=0.94200000 Y=0.57500000 Z=0.30800000
      -2: X=0.05800000 Y=0.92500000 Z=0.19200000
      -2: X=0.30800000 Y=0.94200000 Z=0.57500000
      -2: X=0.19200000 Y=0.05800000 Z=0.92500000
      -2: X=0.92500000 Y=0.19200000 Z=0.05800000
      -2: X=0.57500000 Y=0.30800000 Z=0.94200000
      -2: X=0.30800000 Y=0.67500000 Z=0.30800000
      -2: X=0.19200000 Y=0.32500000 Z=0.19200000
      -2: X=0.32500000 Y=0.19200000 Z=0.19200000
      -2: X=0.67500000 Y=0.30800000 Z=0.30800000
      -2: X=0.30800000 Y=0.57500000 Z=0.94200000
      -2: X=0.19200000 Y=0.92500000 Z=0.05800000
      -2: X=0.92500000 Y=0.05800000 Z=0.19200000
      -2: X=0.57500000 Y=0.94200000 Z=0.30800000
      -2: X=0.94200000 Y=0.67500000 Z=0.94200000
      -2: X=0.05800000 Y=0.32500000 Z=0.05800000
Al         NPT=  781  R0=.000100000 RMT= 2.29        Z:  13.00000              
LOCAL ROT MATRIX:    0.0000000-0.7071068-0.7071068
                     0.0000000-0.7071068 0.7071068
                    -1.0000000 0.0000000 0.0000000
ATOM  -3: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 4          ISPLIT= 4
      -3: X=0.00000000 Y=0.25000000 Z=0.25000000
      -3: X=0.25000000 Y=0.25000000 Z=0.00000000
      -3: X=0.25000000 Y=0.00000000 Z=0.25000000
Mg         NPT=  781  R0=.000100000 RMT= 2.50000     Z:  12.00000              
LOCAL ROT MATRIX:    0.4082483-0.7071068 0.5773503
                     0.4082483 0.7071068 0.5773503
                    -0.8164966 0.0000000 0.5773503
ATOM   4: X=0.12500000 Y=0.12500000 Z=0.12500000
          MULT= 2          ISPLIT= 2
       4: X=0.87500000 Y=0.87500000 Z=0.87500000
Mg         NPT=  781  R0=.000100000 RMT= 2.50000     Z:  12.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.50000000 Y=0.50000000 Z=0.50000000
          MULT= 4          ISPLIT= 4
      -5: X=0.50000000 Y=0.75000000 Z=0.75000000
      -5: X=0.75000000 Y=0.75000000 Z=0.50000000
      -5: X=0.75000000 Y=0.50000000 Z=0.75000000
Ta         NPT=  781  R0=.000005000 RMT= 2.50000     Z:  73.00000              
LOCAL ROT MATRIX:    0.4082483-0.7071068 0.5773503
                     0.4082483 0.7071068 0.5773503
                    -0.8164966 0.0000000 0.5773503