R   LATTICE,NONEQUIV.ATOMS   4  166 R-3m                                       
MODE OF CALC=RELA unit=bohr                                                    
 10.703410 10.703410 49.323744 90.000000 90.000000120.000000                   
ATOM  -1: X=0.08450000 Y=0.08450000 Z=0.08450000
          MULT= 2          ISPLIT= 4
      -1: X=0.91550000 Y=0.91550000 Z=0.91550000
P          NPT=  781  R0=.000100000 RMT= 1.81        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  -2: X=0.20860000 Y=0.20860000 Z=0.20860000
          MULT= 2          ISPLIT= 4
      -2: X=0.79140000 Y=0.79140000 Z=0.79140000
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=0.38940000 Y=0.38940000 Z=0.38940000
          MULT= 2          ISPLIT= 4
      -3: X=0.61060000 Y=0.61060000 Z=0.61060000
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  -4: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 1          ISPLIT= 4
Zn         NPT=  781  R0=.000050000 RMT= 2.33        Z:  30.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000