F   LATTICE,NONEQUIV.ATOMS   3  226 Fm-3c                                      
MODE OF CALC=RELA unit=bohr                                                    
 23.355125 23.355125 23.355125 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= 2.50000     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= 2          ISPLIT= 2
       2: X=0.00000000 Y=0.00000000 Z=0.50000000
Zn         NPT=  781  R0=.000050000 RMT= 2.44        Z:  30.00000              
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=0.11900000 Z=0.18000000
          MULT=24          ISPLIT= 8
      -3: X=0.00000000 Y=0.88100000 Z=0.82000000
      -3: X=0.88100000 Y=0.00000000 Z=0.68000000
      -3: X=0.11900000 Y=0.00000000 Z=0.32000000
      -3: X=0.18000000 Y=0.00000000 Z=0.11900000
      -3: X=0.82000000 Y=0.00000000 Z=0.88100000
      -3: X=0.00000000 Y=0.88100000 Z=0.18000000
      -3: X=0.00000000 Y=0.11900000 Z=0.82000000
      -3: X=0.00000000 Y=0.18000000 Z=0.61900000
      -3: X=0.00000000 Y=0.82000000 Z=0.38100000
      -3: X=0.11900000 Y=0.00000000 Z=0.68000000
      -3: X=0.88100000 Y=0.00000000 Z=0.32000000
      -3: X=0.82000000 Y=0.00000000 Z=0.11900000
      -3: X=0.18000000 Y=0.00000000 Z=0.88100000
      -3: X=0.00000000 Y=0.82000000 Z=0.61900000
      -3: X=0.00000000 Y=0.18000000 Z=0.38100000
      -3: X=0.18000000 Y=0.88100000 Z=0.50000000
      -3: X=0.82000000 Y=0.11900000 Z=0.50000000
      -3: X=0.11900000 Y=0.18000000 Z=0.00000000
      -3: X=0.88100000 Y=0.82000000 Z=0.00000000
      -3: X=0.18000000 Y=0.11900000 Z=0.50000000
      -3: X=0.82000000 Y=0.88100000 Z=0.50000000
      -3: X=0.88100000 Y=0.18000000 Z=0.00000000
      -3: X=0.11900000 Y=0.82000000 Z=0.00000000
Zn         NPT=  781  R0=.000050000 RMT= 2.44        Z:  30.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000