F   LATTICE,NONEQUIV.ATOMS   4  227 Fd-3m                                      
MODE OF CALC=RELA unit=bohr                                                    
 21.841455 21.841455 21.841455 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 4          ISPLIT= 4
      -1: X=0.00000000 Y=0.25000000 Z=0.25000000
      -1: X=0.25000000 Y=0.25000000 Z=0.00000000
      -1: X=0.25000000 Y=0.00000000 Z=0.25000000
Zn         NPT=  781  R0=.000050000 RMT= 2.33        Z:  30.00000              
LOCAL ROT MATRIX:    0.4082483-0.7071068 0.5773503
                     0.4082483 0.7071068 0.5773503
                    -0.8164966 0.0000000 0.5773503
ATOM  -2: X=0.20500000 Y=0.20500000 Z=0.20500000
          MULT= 8          ISPLIT= 4
      -2: X=0.79500000 Y=0.79500000 Z=0.79500000
      -2: X=0.79500000 Y=0.45500000 Z=0.45500000
      -2: X=0.20500000 Y=0.04500000 Z=0.04500000
      -2: X=0.04500000 Y=0.04500000 Z=0.20500000
      -2: X=0.45500000 Y=0.45500000 Z=0.79500000
      -2: X=0.45500000 Y=0.79500000 Z=0.45500000
      -2: X=0.04500000 Y=0.20500000 Z=0.04500000
Zn         NPT=  781  R0=.000050000 RMT= 2.33        Z:  30.00000              
LOCAL ROT MATRIX:    0.4082483-0.7071068 0.5773503
                     0.4082483 0.7071068 0.5773503
                    -0.8164966 0.0000000 0.5773503
ATOM  -3: X=0.43000000 Y=0.12500000 Z=0.12500000
          MULT=12          ISPLIT= 8
      -3: X=0.57000000 Y=0.87500000 Z=0.87500000
      -3: X=0.87500000 Y=0.68000000 Z=0.37500000
      -3: X=0.12500000 Y=0.82000000 Z=0.12500000
      -3: X=0.12500000 Y=0.43000000 Z=0.12500000
      -3: X=0.87500000 Y=0.57000000 Z=0.87500000
      -3: X=0.82000000 Y=0.12500000 Z=0.12500000
      -3: X=0.68000000 Y=0.37500000 Z=0.87500000
      -3: X=0.37500000 Y=0.87500000 Z=0.68000000
      -3: X=0.12500000 Y=0.12500000 Z=0.82000000
      -3: X=0.12500000 Y=0.12500000 Z=0.43000000
      -3: X=0.87500000 Y=0.87500000 Z=0.57000000
Ti         NPT=  781  R0=.000050000 RMT= 2.27        Z:  22.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     0.7071068 0.7071068 0.0000000
                    -0.7071068 0.7071068 0.0000000
ATOM  -4: X=0.50000000 Y=0.50000000 Z=0.50000000
          MULT= 4          ISPLIT= 4
      -4: X=0.50000000 Y=0.75000000 Z=0.75000000
      -4: X=0.75000000 Y=0.75000000 Z=0.50000000
      -4: X=0.75000000 Y=0.50000000 Z=0.75000000
C          NPT=  781  R0=.000100000 RMT= 1.86        Z:   6.00000              
LOCAL ROT MATRIX:    0.4082483-0.7071068 0.5773503
                     0.4082483 0.7071068 0.5773503
                    -0.8164966 0.0000000 0.5773503