R   LATTICE,NONEQUIV.ATOMS   2  166 R-3m                                       
MODE OF CALC=RELA unit=bohr                                                    
  8.031336  8.031336 40.629111 90.000000 90.000000120.000000                   
ATOM  -1: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 1          ISPLIT= 4
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  -2: X=0.25033000 Y=0.25033000 Z=0.25033000
          MULT= 2          ISPLIT= 4
      -2: X=0.74967000 Y=0.74967000 Z=0.74967000
I          NPT=  781  R0=.000010000 RMT= 2.50000     Z:  53.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000