P   LATTICE,NONEQUIV.ATOMS   6   52 Pnna                                       
MODE OF CALC=RELA unit=bohr                                                    
 10.922617 20.106686 16.376367 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.43340000 Y=0.16660000 Z=0.57530000
          MULT= 8          ISPLIT= 8
      -1: X=0.56660000 Y=0.83340000 Z=0.42470000
      -1: X=0.93340000 Y=0.16660000 Z=0.42470000
      -1: X=0.06660000 Y=0.83340000 Z=0.57530000
      -1: X=0.56660000 Y=0.66660000 Z=0.07530000
      -1: X=0.43340000 Y=0.33340000 Z=0.92470000
      -1: X=0.06660000 Y=0.66660000 Z=0.92470000
      -1: X=0.93340000 Y=0.33340000 Z=0.07530000
K          NPT=  781  R0=.000050000 RMT= 2.38        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=0.46799000 Y=0.07618000 Z=0.15958000
          MULT= 8          ISPLIT= 8
      -2: X=0.53201000 Y=0.92382000 Z=0.84042000
      -2: X=0.96799000 Y=0.07618000 Z=0.84042000
      -2: X=0.03201000 Y=0.92382000 Z=0.15958000
      -2: X=0.53201000 Y=0.57618000 Z=0.65958000
      -2: X=0.46799000 Y=0.42382000 Z=0.34042000
      -2: X=0.03201000 Y=0.57618000 Z=0.34042000
      -2: X=0.96799000 Y=0.42382000 Z=0.65958000
Hf         NPT=  781  R0=.000005000 RMT= 2.02        Z:  72.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.12750000 Y=0.10680000 Z=0.05020000
          MULT= 8          ISPLIT= 8
      -3: X=0.87250000 Y=0.89320000 Z=0.94980000
      -3: X=0.62750000 Y=0.10680000 Z=0.94980000
      -3: X=0.37250000 Y=0.89320000 Z=0.05020000
      -3: X=0.87250000 Y=0.60680000 Z=0.55020000
      -3: X=0.12750000 Y=0.39320000 Z=0.44980000
      -3: X=0.37250000 Y=0.60680000 Z=0.44980000
      -3: X=0.62750000 Y=0.39320000 Z=0.55020000
O          NPT=  781  R0=.000100000 RMT= 1.74        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=0.74520000
          MULT= 4          ISPLIT= 8
      -4: X=0.75000000 Y=0.00000000 Z=0.25480000
      -4: X=0.75000000 Y=0.50000000 Z=0.24520000
      -4: X=0.25000000 Y=0.50000000 Z=0.75480000
O          NPT=  781  R0=.000100000 RMT= 1.74        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=0.32350000
          MULT= 4          ISPLIT= 8
      -5: X=0.75000000 Y=0.00000000 Z=0.67650000
      -5: X=0.75000000 Y=0.50000000 Z=0.82350000
      -5: X=0.25000000 Y=0.50000000 Z=0.17650000
O          NPT=  781  R0=.000100000 RMT= 1.74        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=0.50500000 Y=0.25000000 Z=0.25000000
          MULT= 4          ISPLIT= 8
      -6: X=0.49500000 Y=0.75000000 Z=0.75000000
      -6: X=0.00500000 Y=0.25000000 Z=0.75000000
      -6: X=0.99500000 Y=0.75000000 Z=0.25000000
O          NPT=  781  R0=.000100000 RMT= 1.74        Z:   8.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000