B   LATTICE,NONEQUIV.ATOMS   3  206 Ia-3                                       
MODE OF CALC=RELA unit=bohr                                                    
 18.460924 18.460924 18.460924 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.10020000 Y=0.35250000 Z=0.12590000
          MULT=24          ISPLIT= 8
      -1: X=0.89980000 Y=0.64750000 Z=0.87410000
      -1: X=0.89980000 Y=0.14750000 Z=0.12590000
      -1: X=0.10020000 Y=0.85250000 Z=0.87410000
      -1: X=0.10020000 Y=0.64750000 Z=0.37410000
      -1: X=0.89980000 Y=0.35250000 Z=0.62590000
      -1: X=0.12590000 Y=0.10020000 Z=0.35250000
      -1: X=0.87410000 Y=0.89980000 Z=0.64750000
      -1: X=0.89980000 Y=0.85250000 Z=0.37410000
      -1: X=0.10020000 Y=0.14750000 Z=0.62590000
      -1: X=0.87410000 Y=0.39980000 Z=0.35250000
      -1: X=0.12590000 Y=0.60020000 Z=0.64750000
      -1: X=0.12590000 Y=0.89980000 Z=0.14750000
      -1: X=0.87410000 Y=0.10020000 Z=0.85250000
      -1: X=0.87410000 Y=0.60020000 Z=0.14750000
      -1: X=0.12590000 Y=0.39980000 Z=0.85250000
      -1: X=0.35250000 Y=0.12590000 Z=0.10020000
      -1: X=0.64750000 Y=0.87410000 Z=0.89980000
      -1: X=0.64750000 Y=0.37410000 Z=0.10020000
      -1: X=0.35250000 Y=0.62590000 Z=0.89980000
      -1: X=0.35250000 Y=0.87410000 Z=0.39980000
      -1: X=0.64750000 Y=0.12590000 Z=0.60020000
      -1: X=0.64750000 Y=0.62590000 Z=0.39980000
      -1: X=0.35250000 Y=0.37410000 Z=0.60020000
Zn         NPT=  781  R0=.000050000 RMT= 2.06        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  -2: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 4          ISPLIT= 4
      -2: X=0.00000000 Y=0.50000000 Z=0.00000000
      -2: X=0.00000000 Y=0.00000000 Z=0.50000000
      -2: X=0.00000000 Y=0.50000000 Z=0.50000000
N          NPT=  781  R0=.000100000 RMT= 1.69        Z:   7.00000              
LOCAL ROT MATRIX:    0.7071068 0.4082483 0.5773503
                    -0.7071068 0.4082483 0.5773503
                     0.0000000-0.8164966 0.5773503
ATOM  -3: X=0.27160000 Y=0.00000000 Z=0.25000000
          MULT=12          ISPLIT= 8
      -3: X=0.72840000 Y=0.00000000 Z=0.75000000
      -3: X=0.72840000 Y=0.50000000 Z=0.25000000
      -3: X=0.27160000 Y=0.50000000 Z=0.75000000
      -3: X=0.25000000 Y=0.27160000 Z=0.00000000
      -3: X=0.75000000 Y=0.72840000 Z=0.00000000
      -3: X=0.75000000 Y=0.22840000 Z=0.00000000
      -3: X=0.25000000 Y=0.77160000 Z=0.00000000
      -3: X=0.00000000 Y=0.25000000 Z=0.27160000
      -3: X=0.00000000 Y=0.75000000 Z=0.72840000
      -3: X=0.00000000 Y=0.75000000 Z=0.22840000
      -3: X=0.00000000 Y=0.25000000 Z=0.77160000
N          NPT=  781  R0=.000100000 RMT= 1.69        Z:   7.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000