R   LATTICE,NONEQUIV.ATOMS   4  166 R-3m                                       
MODE OF CALC=RELA unit=bohr                                                    
  7.341587  7.341587 57.296497 90.000000 90.000000120.000000                   
ATOM  -1: X=0.37961000 Y=0.37961000 Z=0.37961000
          MULT= 2          ISPLIT= 4
      -1: X=0.62039000 Y=0.62039000 Z=0.62039000
Y          NPT=  781  R0=.000010000 RMT= 2.22        Z:  39.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.19627000 Y=0.19627000 Z=0.19627000
          MULT= 2          ISPLIT= 4
      -2: X=0.80373000 Y=0.80373000 Z=0.80373000
Zn         NPT=  781  R0=.000050000 RMT= 2.50000     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  -3: X=0.11157000 Y=0.11157000 Z=0.11157000
          MULT= 2          ISPLIT= 4
      -3: X=0.88843000 Y=0.88843000 Z=0.88843000
P          NPT=  781  R0=.000100000 RMT= 1.95        Z:  15.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.30535000 Y=0.30535000 Z=0.30535000
          MULT= 2          ISPLIT= 4
      -4: X=0.69465000 Y=0.69465000 Z=0.69465000
O          NPT=  781  R0=.000100000 RMT= 2.01        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000