B   LATTICE,NONEQUIV.ATOMS   3  122 I-42d                                      
MODE OF CALC=RELA unit=bohr                                                    
 16.638472 16.638472 10.266693 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.04692000 Y=0.25000000 Z=0.12500000
          MULT= 4          ISPLIT= 8
      -1: X=0.25000000 Y=0.95308000 Z=0.87500000
      -1: X=0.95308000 Y=0.75000000 Z=0.12500000
      -1: X=0.75000000 Y=0.04692000 Z=0.87500000
Zn         NPT=  781  R0=.000050000 RMT= 2.05        Z:  30.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -2: X=0.56750000 Y=0.25000000 Z=0.12500000
          MULT= 4          ISPLIT= 8
      -2: X=0.25000000 Y=0.43250000 Z=0.87500000
      -2: X=0.43250000 Y=0.75000000 Z=0.12500000
      -2: X=0.75000000 Y=0.56750000 Z=0.87500000
C          NPT=  781  R0=.000100000 RMT= 1.12        Z:   6.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -3: X=0.19160000 Y=0.07200000 Z=0.17050000
          MULT= 8          ISPLIT= 8
      -3: X=0.07200000 Y=0.80840000 Z=0.82950000
      -3: X=0.19160000 Y=0.42800000 Z=0.07950000
      -3: X=0.80840000 Y=0.92800000 Z=0.17050000
      -3: X=0.92800000 Y=0.30840000 Z=0.42050000
      -3: X=0.92800000 Y=0.19160000 Z=0.82950000
      -3: X=0.80840000 Y=0.57200000 Z=0.07950000
      -3: X=0.07200000 Y=0.69160000 Z=0.42050000
N          NPT=  781  R0=.000100000 RMT= 1.18        Z:   7.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000