P   LATTICE,NONEQUIV.ATOMS   7   52 Pnna                                       
MODE OF CALC=RELA unit=bohr                                                    
 21.397369 15.070566 12.090468 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.25000000 Y=0.00000000 Z=0.76940000
          MULT= 4          ISPLIT= 8
      -1: X=0.75000000 Y=0.00000000 Z=0.23060000
      -1: X=0.75000000 Y=0.50000000 Z=0.26940000
      -1: X=0.25000000 Y=0.50000000 Z=0.73060000
K          NPT=  781  R0=.000050000 RMT= 2.48        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  -2: X=0.40317000 Y=0.25000000 Z=0.25000000
          MULT= 4          ISPLIT= 8
      -2: X=0.59683000 Y=0.75000000 Z=0.75000000
      -2: X=0.90317000 Y=0.25000000 Z=0.75000000
      -2: X=0.09683000 Y=0.75000000 Z=0.25000000
Pd         NPT=  781  R0=.000010000 RMT= 2.10        Z:  46.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -3: X=0.09386000 Y=0.25000000 Z=0.25000000
          MULT= 4          ISPLIT= 8
      -3: X=0.90614000 Y=0.75000000 Z=0.75000000
      -3: X=0.59386000 Y=0.25000000 Z=0.75000000
      -3: X=0.40614000 Y=0.75000000 Z=0.25000000
Zr         NPT=  781  R0=.000010000 RMT= 1.91        Z:  40.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -4: X=0.24710000 Y=0.29410000 Z=0.06740000
          MULT= 8          ISPLIT= 8
      -4: X=0.75290000 Y=0.70590000 Z=0.93260000
      -4: X=0.74710000 Y=0.29410000 Z=0.93260000
      -4: X=0.25290000 Y=0.70590000 Z=0.06740000
      -4: X=0.75290000 Y=0.79410000 Z=0.56740000
      -4: X=0.24710000 Y=0.20590000 Z=0.43260000
      -4: X=0.25290000 Y=0.79410000 Z=0.43260000
      -4: X=0.74710000 Y=0.20590000 Z=0.56740000
F          NPT=  781  R0=.000100000 RMT= 1.82        Z:   9.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.10500000 Y=0.01040000 Z=0.14870000
          MULT= 8          ISPLIT= 8
      -5: X=0.89500000 Y=0.98960000 Z=0.85130000
      -5: X=0.60500000 Y=0.01040000 Z=0.85130000
      -5: X=0.39500000 Y=0.98960000 Z=0.14870000
      -5: X=0.89500000 Y=0.51040000 Z=0.64870000
      -5: X=0.10500000 Y=0.48960000 Z=0.35130000
      -5: X=0.39500000 Y=0.51040000 Z=0.35130000
      -5: X=0.60500000 Y=0.48960000 Z=0.64870000
F          NPT=  781  R0=.000100000 RMT= 1.82        Z:   9.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.91850000 Y=0.25000000 Z=0.25000000
          MULT= 4          ISPLIT= 8
      -6: X=0.08150000 Y=0.75000000 Z=0.75000000
      -6: X=0.41850000 Y=0.25000000 Z=0.75000000
      -6: X=0.58150000 Y=0.75000000 Z=0.25000000
F          NPT=  781  R0=.000100000 RMT= 1.82        Z:   9.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -7: X=0.04620000 Y=0.18060000 Z=0.55070000
          MULT= 8          ISPLIT= 8
      -7: X=0.95380000 Y=0.81940000 Z=0.44930000
      -7: X=0.54620000 Y=0.18060000 Z=0.44930000
      -7: X=0.45380000 Y=0.81940000 Z=0.55070000
      -7: X=0.95380000 Y=0.68060000 Z=0.05070000
      -7: X=0.04620000 Y=0.31940000 Z=0.94930000
      -7: X=0.45380000 Y=0.68060000 Z=0.94930000
      -7: X=0.54620000 Y=0.31940000 Z=0.05070000
F          NPT=  781  R0=.000100000 RMT= 1.82        Z:   9.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000