F   LATTICE,NONEQUIV.ATOMS   4  227 Fd-3m                                      
MODE OF CALC=RELA unit=bohr                                                    
 26.015860 26.015860 26.015860 90.000000 90.000000 90.000000                   
ATOM   1: X=0.12500000 Y=0.12500000 Z=0.12500000
          MULT= 2          ISPLIT= 2
       1: X=0.87500000 Y=0.87500000 Z=0.87500000
Ti         NPT=  781  R0=.000050000 RMT= 2.36        Z:  22.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.23030000 Y=0.23030000 Z=0.23030000
          MULT= 8          ISPLIT= 4
      -2: X=0.76970000 Y=0.76970000 Z=0.76970000
      -2: X=0.76970000 Y=0.48030000 Z=0.48030000
      -2: X=0.23030000 Y=0.01970000 Z=0.01970000
      -2: X=0.01970000 Y=0.01970000 Z=0.23030000
      -2: X=0.48030000 Y=0.48030000 Z=0.76970000
      -2: X=0.48030000 Y=0.76970000 Z=0.48030000
      -2: X=0.01970000 Y=0.23030000 Z=0.01970000
As         NPT=  781  R0=.000050000 RMT= 2.36        Z:  33.00000              
LOCAL ROT MATRIX:    0.4082483-0.7071068 0.5773503
                     0.4082483 0.7071068 0.5773503
                    -0.8164966 0.0000000 0.5773503
ATOM  -3: X=0.40500000 Y=0.12500000 Z=0.12500000
          MULT=12          ISPLIT= 8
      -3: X=0.59500000 Y=0.87500000 Z=0.87500000
      -3: X=0.87500000 Y=0.65500000 Z=0.37500000
      -3: X=0.12500000 Y=0.84500000 Z=0.12500000
      -3: X=0.12500000 Y=0.40500000 Z=0.12500000
      -3: X=0.87500000 Y=0.59500000 Z=0.87500000
      -3: X=0.84500000 Y=0.12500000 Z=0.12500000
      -3: X=0.65500000 Y=0.37500000 Z=0.87500000
      -3: X=0.37500000 Y=0.87500000 Z=0.65500000
      -3: X=0.12500000 Y=0.12500000 Z=0.84500000
      -3: X=0.12500000 Y=0.12500000 Z=0.40500000
      -3: X=0.87500000 Y=0.87500000 Z=0.59500000
Na         NPT=  781  R0=.000100000 RMT= 2.50000     Z:  11.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     0.7071068 0.7071068 0.0000000
                    -0.7071068 0.7071068 0.0000000
ATOM  -4: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 4          ISPLIT= 4
      -4: X=0.00000000 Y=0.25000000 Z=0.25000000
      -4: X=0.25000000 Y=0.25000000 Z=0.00000000
      -4: X=0.25000000 Y=0.00000000 Z=0.25000000
Na         NPT=  781  R0=.000100000 RMT= 2.50000     Z:  11.00000              
LOCAL ROT MATRIX:    0.4082483-0.7071068 0.5773503
                     0.4082483 0.7071068 0.5773503
                    -0.8164966 0.0000000 0.5773503