P   LATTICE,NONEQUIV.ATOMS   4   52 Pnna                                       
MODE OF CALC=RELA unit=bohr                                                    
 10.607033 22.412152  9.363593 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.25000000 Y=0.00000000 Z=0.80340000
          MULT= 4          ISPLIT= 8
      -1: X=0.75000000 Y=0.00000000 Z=0.19660000
      -1: X=0.75000000 Y=0.50000000 Z=0.30340000
      -1: X=0.25000000 Y=0.50000000 Z=0.69660000
Sb         NPT=  781  R0=.000010000 RMT= 2.02        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=0.14280000 Y=0.25000000 Z=0.25000000
          MULT= 4          ISPLIT= 8
      -2: X=0.85720000 Y=0.75000000 Z=0.75000000
      -2: X=0.64280000 Y=0.25000000 Z=0.75000000
      -2: X=0.35720000 Y=0.75000000 Z=0.25000000
Nb         NPT=  781  R0=.000010000 RMT= 1.83        Z:  41.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -3: X=0.08680000 Y=0.09530000 Z=0.08200000
          MULT= 8          ISPLIT= 8
      -3: X=0.91320000 Y=0.90470000 Z=0.91800000
      -3: X=0.58680000 Y=0.09530000 Z=0.91800000
      -3: X=0.41320000 Y=0.90470000 Z=0.08200000
      -3: X=0.91320000 Y=0.59530000 Z=0.58200000
      -3: X=0.08680000 Y=0.40470000 Z=0.41800000
      -3: X=0.41320000 Y=0.59530000 Z=0.41800000
      -3: X=0.58680000 Y=0.40470000 Z=0.58200000
O          NPT=  781  R0=.000100000 RMT= 1.65        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=0.35890000 Y=0.19890000 Z=0.50450000
          MULT= 8          ISPLIT= 8
      -4: X=0.64110000 Y=0.80110000 Z=0.49550000
      -4: X=0.85890000 Y=0.19890000 Z=0.49550000
      -4: X=0.14110000 Y=0.80110000 Z=0.50450000
      -4: X=0.64110000 Y=0.69890000 Z=0.00450000
      -4: X=0.35890000 Y=0.30110000 Z=0.99550000
      -4: X=0.14110000 Y=0.69890000 Z=0.99550000
      -4: X=0.85890000 Y=0.30110000 Z=0.00450000
O          NPT=  781  R0=.000100000 RMT= 1.65        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000