F   LATTICE,NONEQUIV.ATOMS   4  225 Fm-3m                                      
MODE OF CALC=RELA unit=bohr                                                    
 20.546992 20.546992 20.546992 90.000000 90.000000 90.000000                   
ATOM   1: X=0.25000000 Y=0.25000000 Z=0.25000000
          MULT= 2          ISPLIT= 2
       1: X=0.75000000 Y=0.75000000 Z=0.75000000
Cs         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  55.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM   2: X=0.50000000 Y=0.50000000 Z=0.50000000
          MULT= 1          ISPLIT= 2
K          NPT=  781  R0=.000050000 RMT= 2.50000     Z:  19.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM   3: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 1          ISPLIT= 2
Sc         NPT=  781  R0=.000050000 RMT= 2.50000     Z:  21.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.24600000 Y=0.00000000 Z=0.00000000
          MULT= 6          ISPLIT=-2
      -4: X=0.75400000 Y=0.00000000 Z=0.00000000
      -4: X=0.00000000 Y=0.24600000 Z=0.00000000
      -4: X=0.00000000 Y=0.75400000 Z=0.00000000
      -4: X=0.00000000 Y=0.00000000 Z=0.24600000
      -4: X=0.00000000 Y=0.00000000 Z=0.75400000
Cl         NPT=  781  R0=.000100000 RMT= 2.39        Z:  17.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     0.0000000 1.0000000 0.0000000
                    -1.0000000 0.0000000 0.0000000