B   LATTICE,NONEQUIV.ATOMS   4  217 I-43m                                      
MODE OF CALC=RELA unit=bohr                                                    
 15.575879 15.575879 15.575879 90.000000 90.000000 90.000000                   
ATOM   1: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 1          ISPLIT= 2
O          NPT=  781  R0=.000100000 RMT= 2.09        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  -2: X=0.16814000 Y=0.16814000 Z=0.16814000
          MULT= 4          ISPLIT= 4
      -2: X=0.16814000 Y=0.83186000 Z=0.83186000
      -2: X=0.83186000 Y=0.83186000 Z=0.16814000
      -2: X=0.83186000 Y=0.16814000 Z=0.83186000
Zn         NPT=  781  R0=.000050000 RMT= 2.01        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  -3: X=0.25000000 Y=0.50000000 Z=0.00000000
          MULT= 6          ISPLIT=-2
      -3: X=0.50000000 Y=0.75000000 Z=0.00000000
      -3: X=0.75000000 Y=0.50000000 Z=0.00000000
      -3: X=0.50000000 Y=0.25000000 Z=0.00000000
      -3: X=0.00000000 Y=0.50000000 Z=0.75000000
      -3: X=0.00000000 Y=0.50000000 Z=0.25000000
P          NPT=  781  R0=.000100000 RMT= 1.54        Z:  15.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -4: X=0.13677000 Y=0.13677000 Z=0.39960000
          MULT=12          ISPLIT= 8
      -4: X=0.13677000 Y=0.86323000 Z=0.60040000
      -4: X=0.39960000 Y=0.13677000 Z=0.13677000
      -4: X=0.86323000 Y=0.86323000 Z=0.39960000
      -4: X=0.13677000 Y=0.60040000 Z=0.86323000
      -4: X=0.86323000 Y=0.13677000 Z=0.60040000
      -4: X=0.60040000 Y=0.86323000 Z=0.13677000
      -4: X=0.86323000 Y=0.39960000 Z=0.86323000
      -4: X=0.39960000 Y=0.86323000 Z=0.86323000
      -4: X=0.86323000 Y=0.60040000 Z=0.13677000
      -4: X=0.60040000 Y=0.13677000 Z=0.86323000
      -4: X=0.13677000 Y=0.39960000 Z=0.13677000
N          NPT=  781  R0=.000100000 RMT= 1.62        Z:   7.00000              
LOCAL ROT MATRIX:    0.0000000-0.7071068-0.7071068
                     0.0000000-0.7071068 0.7071068
                    -1.0000000 0.0000000 0.0000000