F   LATTICE,NONEQUIV.ATOMS   9  216 F-43m                                      
MODE OF CALC=RELA unit=bohr                                                    
 25.244473 25.244473 25.244473 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.20520000 Y=0.00000000 Z=0.00000000
          MULT= 6          ISPLIT= 8
      -1: X=0.00000000 Y=0.79480000 Z=0.00000000
      -1: X=0.00000000 Y=0.20520000 Z=0.00000000
      -1: X=0.79480000 Y=0.00000000 Z=0.00000000
      -1: X=0.00000000 Y=0.00000000 Z=0.79480000
      -1: X=0.00000000 Y=0.00000000 Z=0.20520000
Ba         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  56.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     0.7071068 0.7071068 0.0000000
                    -0.7071068 0.7071068 0.0000000
ATOM  -2: X=0.66500000 Y=0.66500000 Z=0.66500000
          MULT= 4          ISPLIT= 4
      -2: X=0.66500000 Y=0.33500000 Z=0.33500000
      -2: X=0.33500000 Y=0.33500000 Z=0.66500000
      -2: X=0.33500000 Y=0.66500000 Z=0.33500000
In         NPT=  781  R0=.000010000 RMT= 2.20        Z:  49.00000              
LOCAL ROT MATRIX:    0.4082483-0.7071068 0.5773503
                     0.4082483 0.7071068 0.5773503
                    -0.8164966 0.0000000 0.5773503
ATOM  -3: X=0.41710000 Y=0.41710000 Z=0.41710000
          MULT= 4          ISPLIT= 4
      -3: X=0.41710000 Y=0.58290000 Z=0.58290000
      -3: X=0.58290000 Y=0.58290000 Z=0.41710000
      -3: X=0.58290000 Y=0.41710000 Z=0.58290000
Zn         NPT=  781  R0=.000050000 RMT= 1.94        Z:  30.00000              
LOCAL ROT MATRIX:    0.4082483-0.7071068 0.5773503
                     0.4082483 0.7071068 0.5773503
                    -0.8164966 0.0000000 0.5773503
ATOM  -4: X=0.08030000 Y=0.25000000 Z=0.25000000
          MULT= 6          ISPLIT= 8
      -4: X=0.25000000 Y=0.91970000 Z=0.75000000
      -4: X=0.25000000 Y=0.08030000 Z=0.25000000
      -4: X=0.91970000 Y=0.75000000 Z=0.25000000
      -4: X=0.75000000 Y=0.25000000 Z=0.91970000
      -4: X=0.25000000 Y=0.25000000 Z=0.08030000
Zn         NPT=  781  R0=.000050000 RMT= 1.94        Z:  30.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     0.7071068 0.7071068 0.0000000
                    -0.7071068 0.7071068 0.0000000
ATOM   5: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 1          ISPLIT= 2
O          NPT=  781  R0=.000100000 RMT= 1.67        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.15700000 Y=0.15700000 Z=0.15700000
          MULT= 4          ISPLIT= 4
      -6: X=0.15700000 Y=0.84300000 Z=0.84300000
      -6: X=0.84300000 Y=0.84300000 Z=0.15700000
      -6: X=0.84300000 Y=0.15700000 Z=0.84300000
O          NPT=  781  R0=.000100000 RMT= 1.67        Z:   8.00000              
LOCAL ROT MATRIX:    0.4082483-0.7071068 0.5773503
                     0.4082483 0.7071068 0.5773503
                    -0.8164966 0.0000000 0.5773503
ATOM   7: X=0.50000000 Y=0.50000000 Z=0.50000000
          MULT= 1          ISPLIT= 2
O          NPT=  781  R0=.000100000 RMT= 1.67        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -8: X=0.83000000 Y=0.83000000 Z=0.83000000
          MULT= 4          ISPLIT= 4
      -8: X=0.83000000 Y=0.17000000 Z=0.17000000
      -8: X=0.17000000 Y=0.17000000 Z=0.83000000
      -8: X=0.17000000 Y=0.83000000 Z=0.17000000
O          NPT=  781  R0=.000100000 RMT= 1.67        Z:   8.00000              
LOCAL ROT MATRIX:    0.4082483-0.7071068 0.5773503
                     0.4082483 0.7071068 0.5773503
                    -0.8164966 0.0000000 0.5773503
ATOM  -9: X=0.16500000 Y=0.16500000 Z=0.50200000
          MULT=12          ISPLIT= 8
      -9: X=0.16500000 Y=0.83500000 Z=0.49800000
      -9: X=0.50200000 Y=0.16500000 Z=0.16500000
      -9: X=0.83500000 Y=0.83500000 Z=0.50200000
      -9: X=0.16500000 Y=0.49800000 Z=0.83500000
      -9: X=0.83500000 Y=0.16500000 Z=0.49800000
      -9: X=0.49800000 Y=0.83500000 Z=0.16500000
      -9: X=0.83500000 Y=0.50200000 Z=0.83500000
      -9: X=0.50200000 Y=0.83500000 Z=0.83500000
      -9: X=0.83500000 Y=0.49800000 Z=0.16500000
      -9: X=0.49800000 Y=0.16500000 Z=0.83500000
      -9: X=0.16500000 Y=0.50200000 Z=0.16500000
O          NPT=  781  R0=.000100000 RMT= 1.67        Z:   8.00000              
LOCAL ROT MATRIX:    0.0000000-0.7071068-0.7071068
                     0.0000000-0.7071068 0.7071068
                    -1.0000000 0.0000000 0.0000000