B   LATTICE,NONEQUIV.ATOMS   5  140 I4/mcm                                     
MODE OF CALC=RELA unit=bohr                                                    
 16.675699 16.675699 31.357360 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 2          ISPLIT=-2
      -1: X=0.00000000 Y=0.00000000 Z=0.50000000
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  -2: X=0.15906000 Y=0.65906000 Z=0.15415000
          MULT= 8          ISPLIT= 8
      -2: X=0.84094000 Y=0.34094000 Z=0.84585000
      -2: X=0.34094000 Y=0.15906000 Z=0.15415000
      -2: X=0.65906000 Y=0.84094000 Z=0.84585000
      -2: X=0.84094000 Y=0.34094000 Z=0.15415000
      -2: X=0.15906000 Y=0.65906000 Z=0.84585000
      -2: X=0.65906000 Y=0.84094000 Z=0.15415000
      -2: X=0.34094000 Y=0.15906000 Z=0.84585000
Ba         NPT=  781  R0=.000010000 RMT= 2.39        Z:  56.00000              
LOCAL ROT MATRIX:    0.0000000-0.7071068-0.7071068
                     0.0000000-0.7071068 0.7071068
                    -1.0000000 0.0000000 0.0000000
ATOM  -3: X=0.61610000 Y=0.11610000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -3: X=0.38390000 Y=0.88390000 Z=0.00000000
      -3: X=0.88390000 Y=0.61610000 Z=0.00000000
      -3: X=0.11610000 Y=0.38390000 Z=0.00000000
Sb         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  51.00000              
LOCAL ROT MATRIX:    0.0000000-0.7071068 0.7071068
                     0.0000000 0.7071068 0.7071068
                    -1.0000000 0.0000000 0.0000000
ATOM  -4: X=0.00000000 Y=0.00000000 Z=0.25000000
          MULT= 2          ISPLIT=-2
      -4: X=0.00000000 Y=0.00000000 Z=0.75000000
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  -5: X=0.00000000 Y=0.50000000 Z=0.25000000
          MULT= 2          ISPLIT=-2
      -5: X=0.00000000 Y=0.50000000 Z=0.75000000
O          NPT=  781  R0=.000100000 RMT= 2.39        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000