P   LATTICE,NONEQUIV.ATOMS   4   52 Pnna                                       
MODE OF CALC=RELA unit=bohr                                                    
  9.788403  9.241517 16.036783 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.25000000 Y=0.00000000 Z=0.59500000
          MULT= 4          ISPLIT= 8
      -1: X=0.75000000 Y=0.00000000 Z=0.40500000
      -1: X=0.75000000 Y=0.50000000 Z=0.09500000
      -1: X=0.25000000 Y=0.50000000 Z=0.90500000
Sb         NPT=  781  R0=.000010000 RMT= 1.98        Z:  51.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.25000000 Y=0.00000000 Z=0.17700000
          MULT= 4          ISPLIT= 8
      -2: X=0.75000000 Y=0.00000000 Z=0.82300000
      -2: X=0.75000000 Y=0.50000000 Z=0.67700000
      -2: X=0.25000000 Y=0.50000000 Z=0.32300000
Li         NPT=  781  R0=.000100000 RMT= 1.60        Z:   3.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.07460000 Y=0.29420000 Z=0.07970000
          MULT= 8          ISPLIT= 8
      -3: X=0.92540000 Y=0.70580000 Z=0.92030000
      -3: X=0.57460000 Y=0.29420000 Z=0.92030000
      -3: X=0.42540000 Y=0.70580000 Z=0.07970000
      -3: X=0.92540000 Y=0.79420000 Z=0.57970000
      -3: X=0.07460000 Y=0.20580000 Z=0.42030000
      -3: X=0.42540000 Y=0.79420000 Z=0.42030000
      -3: X=0.57460000 Y=0.20580000 Z=0.57970000
O          NPT=  781  R0=.000100000 RMT= 1.71        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=0.59520000 Y=0.25000000 Z=0.25000000
          MULT= 4          ISPLIT= 8
      -4: X=0.40480000 Y=0.75000000 Z=0.75000000
      -4: X=0.09520000 Y=0.25000000 Z=0.75000000
      -4: X=0.90480000 Y=0.75000000 Z=0.25000000
O          NPT=  781  R0=.000100000 RMT= 1.71        Z:   8.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000