F   LATTICE,NONEQUIV.ATOMS   3  227 Fd-3m                                      
MODE OF CALC=RELA unit=bohr                                                    
 21.180051 21.180051 21.180051 90.000000 90.000000 90.000000                   
ATOM   1: X=0.37500000 Y=0.37500000 Z=0.37500000
          MULT= 2          ISPLIT= 2
       1: X=0.62500000 Y=0.62500000 Z=0.62500000
Cd         NPT=  781  R0=.000010000 RMT= 2.47        Z:  48.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.00000000 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
Sc         NPT=  781  R0=.000050000 RMT= 2.50000     Z:  21.00000              
LOCAL ROT MATRIX:    0.4082483-0.7071068 0.5773503
                     0.4082483 0.7071068 0.5773503
                    -0.8164966 0.0000000 0.5773503
ATOM  -3: X=0.24300000 Y=0.24300000 Z=0.24300000
          MULT= 8          ISPLIT= 4
      -3: X=0.75700000 Y=0.75700000 Z=0.75700000
      -3: X=0.75700000 Y=0.49300000 Z=0.49300000
      -3: X=0.24300000 Y=0.00700000 Z=0.00700000
      -3: X=0.00700000 Y=0.00700000 Z=0.24300000
      -3: X=0.49300000 Y=0.49300000 Z=0.75700000
      -3: X=0.49300000 Y=0.75700000 Z=0.49300000
      -3: X=0.00700000 Y=0.24300000 Z=0.00700000
Se         NPT=  781  R0=.000050000 RMT= 2.35        Z:  34.00000              
LOCAL ROT MATRIX:    0.4082483-0.7071068 0.5773503
                     0.4082483 0.7071068 0.5773503
                    -0.8164966 0.0000000 0.5773503