F   LATTICE,NONEQUIV.ATOMS   4  225 Fm-3m                                      
MODE OF CALC=RELA unit=bohr                                                    
 15.501423 15.501423 15.501423 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
Ba         NPT=  781  R0=.000010000 RMT= 1.93        Z:  56.00000              
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= 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   3: X=0.50000000 Y=0.50000000 Z=0.50000000
          MULT= 1          ISPLIT= 2
Sb         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  51.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.00000000 Y=0.25000000 Z=0.25000000
          MULT= 6          ISPLIT= 8
      -4: X=0.75000000 Y=0.00000000 Z=0.25000000
      -4: X=0.25000000 Y=0.00000000 Z=0.25000000
      -4: X=0.00000000 Y=0.75000000 Z=0.25000000
      -4: X=0.25000000 Y=0.75000000 Z=0.00000000
      -4: X=0.25000000 Y=0.25000000 Z=0.00000000
O          NPT=  781  R0=.000100000 RMT= 1.93        Z:   8.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                    -0.7071068 0.0000000 0.7071068
                     0.7071068 0.0000000 0.7071068