P   LATTICE,NONEQUIV.ATOMS   5   62 Pnma                                       
MODE OF CALC=RELA unit=bohr                                                    
 16.259204 12.748092  9.021553 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -1: X=0.50000000 Y=0.00000000 Z=0.50000000
      -1: X=0.50000000 Y=0.50000000 Z=0.50000000
      -1: X=0.00000000 Y=0.50000000 Z=0.00000000
Zn         NPT=  781  R0=.000050000 RMT= 1.99        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=0.31971000 Y=0.25000000 Z=0.03341000
          MULT= 4          ISPLIT= 8
      -2: X=0.68029000 Y=0.75000000 Z=0.96659000
      -2: X=0.81971000 Y=0.25000000 Z=0.46659000
      -2: X=0.18029000 Y=0.75000000 Z=0.53341000
S          NPT=  781  R0=.000100000 RMT= 1.34        Z:  16.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -3: X=0.37210000 Y=0.25000000 Z=0.73780000
          MULT= 4          ISPLIT= 8
      -3: X=0.62790000 Y=0.75000000 Z=0.26220000
      -3: X=0.87210000 Y=0.25000000 Z=0.76220000
      -3: X=0.12790000 Y=0.75000000 Z=0.23780000
O          NPT=  781  R0=.000100000 RMT= 1.41        Z:   8.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -4: X=0.14550000 Y=0.25000000 Z=0.04780000
          MULT= 4          ISPLIT= 8
      -4: X=0.85450000 Y=0.75000000 Z=0.95220000
      -4: X=0.64550000 Y=0.25000000 Z=0.45220000
      -4: X=0.35450000 Y=0.75000000 Z=0.54780000
O          NPT=  781  R0=.000100000 RMT= 1.41        Z:   8.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -5: X=0.37330000 Y=0.06890000 Z=0.17050000
          MULT= 8          ISPLIT= 8
      -5: X=0.62670000 Y=0.93110000 Z=0.82950000
      -5: X=0.87330000 Y=0.06890000 Z=0.32950000
      -5: X=0.12670000 Y=0.93110000 Z=0.67050000
      -5: X=0.12670000 Y=0.56890000 Z=0.67050000
      -5: X=0.87330000 Y=0.43110000 Z=0.32950000
      -5: X=0.62670000 Y=0.56890000 Z=0.82950000
      -5: X=0.37330000 Y=0.43110000 Z=0.17050000
O          NPT=  781  R0=.000100000 RMT= 1.41        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000