F   LATTICE,NONEQUIV.ATOMS   4  227 Fd-3m                                      
MODE OF CALC=RELA unit=bohr                                                    
 19.388590 19.388590 19.388590 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.50000000 Y=0.50000000 Z=0.50000000
          MULT= 4          ISPLIT= 4
      -1: X=0.50000000 Y=0.75000000 Z=0.75000000
      -1: X=0.75000000 Y=0.75000000 Z=0.50000000
      -1: X=0.75000000 Y=0.50000000 Z=0.75000000
Ca         NPT=  781  R0=.000050000 RMT= 2.20        Z:  20.00000              
LOCAL ROT MATRIX:    0.4082483-0.7071068 0.5773503
                     0.4082483 0.7071068 0.5773503
                    -0.8164966 0.0000000 0.5773503
ATOM  -2: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 4          ISPLIT= 4
      -2: X=0.00000000 Y=0.25000000 Z=0.25000000
      -2: X=0.25000000 Y=0.25000000 Z=0.00000000
      -2: X=0.25000000 Y=0.00000000 Z=0.25000000
Sb         NPT=  781  R0=.000010000 RMT= 2.13        Z:  51.00000              
LOCAL ROT MATRIX:    0.4082483-0.7071068 0.5773503
                     0.4082483 0.7071068 0.5773503
                    -0.8164966 0.0000000 0.5773503
ATOM  -3: X=0.35500000 Y=0.12500000 Z=0.12500000
          MULT=12          ISPLIT= 8
      -3: X=0.64500000 Y=0.87500000 Z=0.87500000
      -3: X=0.87500000 Y=0.60500000 Z=0.37500000
      -3: X=0.12500000 Y=0.89500000 Z=0.12500000
      -3: X=0.12500000 Y=0.35500000 Z=0.12500000
      -3: X=0.87500000 Y=0.64500000 Z=0.87500000
      -3: X=0.89500000 Y=0.12500000 Z=0.12500000
      -3: X=0.60500000 Y=0.37500000 Z=0.87500000
      -3: X=0.37500000 Y=0.87500000 Z=0.60500000
      -3: X=0.12500000 Y=0.12500000 Z=0.89500000
      -3: X=0.12500000 Y=0.12500000 Z=0.35500000
      -3: X=0.87500000 Y=0.87500000 Z=0.64500000
O          NPT=  781  R0=.000100000 RMT= 1.83        Z:   8.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     0.7071068 0.7071068 0.0000000
                    -0.7071068 0.7071068 0.0000000
ATOM   4: X=0.12500000 Y=0.12500000 Z=0.12500000
          MULT= 2          ISPLIT= 2
       4: X=0.87500000 Y=0.87500000 Z=0.87500000
O          NPT=  781  R0=.000100000 RMT= 1.83        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000