P   LATTICE,NONEQUIV.ATOMS   6   52 Pnna                                       
MODE OF CALC=RELA unit=bohr                                                    
 11.054898 20.390145 16.554001 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.46970000 Y=0.07630000 Z=0.16030000
          MULT= 8          ISPLIT= 8
      -1: X=0.53030000 Y=0.92370000 Z=0.83970000
      -1: X=0.96970000 Y=0.07630000 Z=0.83970000
      -1: X=0.03030000 Y=0.92370000 Z=0.16030000
      -1: X=0.53030000 Y=0.57630000 Z=0.66030000
      -1: X=0.46970000 Y=0.42370000 Z=0.33970000
      -1: X=0.03030000 Y=0.57630000 Z=0.33970000
      -1: X=0.96970000 Y=0.42370000 Z=0.66030000
Zr         NPT=  781  R0=.000010000 RMT= 1.99        Z:  40.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.43800000 Y=0.16600000 Z=0.57700000
          MULT= 8          ISPLIT= 8
      -2: X=0.56200000 Y=0.83400000 Z=0.42300000
      -2: X=0.93800000 Y=0.16600000 Z=0.42300000
      -2: X=0.06200000 Y=0.83400000 Z=0.57700000
      -2: X=0.56200000 Y=0.66600000 Z=0.07700000
      -2: X=0.43800000 Y=0.33400000 Z=0.92300000
      -2: X=0.06200000 Y=0.66600000 Z=0.92300000
      -2: X=0.93800000 Y=0.33400000 Z=0.07700000
K          NPT=  781  R0=.000050000 RMT= 2.41        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  -3: X=0.13600000 Y=0.10200000 Z=0.05400000
          MULT= 8          ISPLIT= 8
      -3: X=0.86400000 Y=0.89800000 Z=0.94600000
      -3: X=0.63600000 Y=0.10200000 Z=0.94600000
      -3: X=0.36400000 Y=0.89800000 Z=0.05400000
      -3: X=0.86400000 Y=0.60200000 Z=0.55400000
      -3: X=0.13600000 Y=0.39800000 Z=0.44600000
      -3: X=0.36400000 Y=0.60200000 Z=0.44600000
      -3: X=0.63600000 Y=0.39800000 Z=0.55400000
O          NPT=  781  R0=.000100000 RMT= 1.80        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.25000000 Y=0.00000000 Z=0.74500000
          MULT= 4          ISPLIT= 8
      -4: X=0.75000000 Y=0.00000000 Z=0.25500000
      -4: X=0.75000000 Y=0.50000000 Z=0.24500000
      -4: X=0.25000000 Y=0.50000000 Z=0.75500000
O          NPT=  781  R0=.000100000 RMT= 1.80        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.25000000 Y=0.00000000 Z=0.32300000
          MULT= 4          ISPLIT= 8
      -5: X=0.75000000 Y=0.00000000 Z=0.67700000
      -5: X=0.75000000 Y=0.50000000 Z=0.82300000
      -5: X=0.25000000 Y=0.50000000 Z=0.17700000
O          NPT=  781  R0=.000100000 RMT= 1.80        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.54000000 Y=0.25000000 Z=0.25000000
          MULT= 4          ISPLIT= 8
      -6: X=0.46000000 Y=0.75000000 Z=0.75000000
      -6: X=0.04000000 Y=0.25000000 Z=0.75000000
      -6: X=0.96000000 Y=0.75000000 Z=0.25000000
O          NPT=  781  R0=.000100000 RMT= 1.80        Z:   8.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000