R   LATTICE,NONEQUIV.ATOMS   4  166 R-3m                                       
MODE OF CALC=RELA unit=bohr                                                    
 10.872918 10.872918 50.769384 90.000000 90.000000120.000000                   
ATOM  -1: X=0.20880000 Y=0.20880000 Z=0.20880000
          MULT= 2          ISPLIT= 4
      -1: X=0.79120000 Y=0.79120000 Z=0.79120000
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=0.38479000 Y=0.38479000 Z=0.38479000
          MULT= 2          ISPLIT= 4
      -2: X=0.61521000 Y=0.61521000 Z=0.61521000
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  -3: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 1          ISPLIT= 4
Zn         NPT=  781  R0=.000050000 RMT= 2.21        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  -4: X=0.08535000 Y=0.08535000 Z=0.08535000
          MULT= 2          ISPLIT= 4
      -4: X=0.91465000 Y=0.91465000 Z=0.91465000
As         NPT=  781  R0=.000050000 RMT= 2.10        Z:  33.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000