P   LATTICE,NONEQUIV.ATOMS   7   62 Pnma                                       
MODE OF CALC=RELA unit=bohr                                                    
 18.806554 21.918933 27.754408 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.08136000 Y=0.51559000 Z=0.32775000
          MULT= 8          ISPLIT= 8
      -1: X=0.91864000 Y=0.48441000 Z=0.67225000
      -1: X=0.58136000 Y=0.51559000 Z=0.17225000
      -1: X=0.41864000 Y=0.48441000 Z=0.82775000
      -1: X=0.41864000 Y=0.01559000 Z=0.82775000
      -1: X=0.58136000 Y=0.98441000 Z=0.17225000
      -1: X=0.91864000 Y=0.01559000 Z=0.67225000
      -1: X=0.08136000 Y=0.98441000 Z=0.32775000
Cs         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  55.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.41189000 Y=0.25000000 Z=0.54719000
          MULT= 4          ISPLIT= 8
      -2: X=0.58811000 Y=0.75000000 Z=0.45281000
      -2: X=0.91189000 Y=0.25000000 Z=0.95281000
      -2: X=0.08811000 Y=0.75000000 Z=0.04719000
Cs         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  55.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -3: X=0.31200000 Y=0.25000000 Z=0.10657000
          MULT= 4          ISPLIT= 8
      -3: X=0.68800000 Y=0.75000000 Z=0.89343000
      -3: X=0.81200000 Y=0.25000000 Z=0.39343000
      -3: X=0.18800000 Y=0.75000000 Z=0.60657000
Zn         NPT=  781  R0=.000050000 RMT= 2.44        Z:  30.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -4: X=0.36317000 Y=0.25000000 Z=0.28019000
          MULT= 4          ISPLIT= 8
      -4: X=0.63683000 Y=0.75000000 Z=0.71981000
      -4: X=0.86317000 Y=0.25000000 Z=0.21981000
      -4: X=0.13683000 Y=0.75000000 Z=0.78019000
I          NPT=  781  R0=.000010000 RMT= 2.44        Z:  53.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -5: X=0.03461000 Y=0.25000000 Z=0.48860000
          MULT= 4          ISPLIT= 8
      -5: X=0.96539000 Y=0.75000000 Z=0.51140000
      -5: X=0.53461000 Y=0.25000000 Z=0.01140000
      -5: X=0.46539000 Y=0.75000000 Z=0.98860000
I          NPT=  781  R0=.000010000 RMT= 2.44        Z:  53.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -6: X=0.16945000 Y=0.25000000 Z=0.76374000
          MULT= 4          ISPLIT= 8
      -6: X=0.83055000 Y=0.75000000 Z=0.23626000
      -6: X=0.66945000 Y=0.25000000 Z=0.73626000
      -6: X=0.33055000 Y=0.75000000 Z=0.26374000
I          NPT=  781  R0=.000010000 RMT= 2.44        Z:  53.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -7: X=0.18880000 Y=0.06062000 Z=0.06352000
          MULT= 8          ISPLIT= 8
      -7: X=0.81120000 Y=0.93938000 Z=0.93648000
      -7: X=0.68880000 Y=0.06062000 Z=0.43648000
      -7: X=0.31120000 Y=0.93938000 Z=0.56352000
      -7: X=0.31120000 Y=0.56062000 Z=0.56352000
      -7: X=0.68880000 Y=0.43938000 Z=0.43648000
      -7: X=0.81120000 Y=0.56062000 Z=0.93648000
      -7: X=0.18880000 Y=0.43938000 Z=0.06352000
I          NPT=  781  R0=.000010000 RMT= 2.44        Z:  53.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000