P   LATTICE,NONEQUIV.ATOMS   2   61 Pbca                                       
MODE OF CALC=RELA unit=bohr                                                    
 10.720605 13.748514 14.281038 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.36180000 Y=0.42731000 Z=0.39916000
          MULT= 8          ISPLIT= 8
      -1: X=0.63820000 Y=0.57269000 Z=0.60084000
      -1: X=0.86180000 Y=0.42731000 Z=0.10084000
      -1: X=0.13820000 Y=0.57269000 Z=0.89916000
      -1: X=0.13820000 Y=0.92731000 Z=0.39916000
      -1: X=0.86180000 Y=0.07269000 Z=0.60084000
      -1: X=0.63820000 Y=0.92731000 Z=0.10084000
      -1: X=0.36180000 Y=0.07269000 Z=0.89916000
As         NPT=  781  R0=.000050000 RMT= 2.26        Z:  33.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.04145000 Y=0.12021000 Z=0.13546000
          MULT= 8          ISPLIT= 8
      -2: X=0.95855000 Y=0.87979000 Z=0.86454000
      -2: X=0.54145000 Y=0.12021000 Z=0.36454000
      -2: X=0.45855000 Y=0.87979000 Z=0.63546000
      -2: X=0.45855000 Y=0.62021000 Z=0.13546000
      -2: X=0.54145000 Y=0.37979000 Z=0.86454000
      -2: X=0.95855000 Y=0.62021000 Z=0.36454000
      -2: X=0.04145000 Y=0.37979000 Z=0.63546000
Zn         NPT=  781  R0=.000050000 RMT= 2.38        Z:  30.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000