P   LATTICE,NONEQUIV.ATOMS   5   52 Pnna                                       
MODE OF CALC=RELA unit=bohr                                                    
 10.781077 35.808421 10.759156 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.25000000 Y=0.00000000 Z=0.70584000
          MULT= 4          ISPLIT= 8
      -1: X=0.75000000 Y=0.00000000 Z=0.29416000
      -1: X=0.75000000 Y=0.50000000 Z=0.20584000
      -1: X=0.25000000 Y=0.50000000 Z=0.79416000
Bi         NPT=  781  R0=.000005000 RMT= 2.14        Z:  83.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.29832000 Y=0.14255000 Z=0.20675000
          MULT= 8          ISPLIT= 8
      -2: X=0.70168000 Y=0.85745000 Z=0.79325000
      -2: X=0.79832000 Y=0.14255000 Z=0.79325000
      -2: X=0.20168000 Y=0.85745000 Z=0.20675000
      -2: X=0.70168000 Y=0.64255000 Z=0.70675000
      -2: X=0.29832000 Y=0.35745000 Z=0.29325000
      -2: X=0.20168000 Y=0.64255000 Z=0.29325000
      -2: X=0.79832000 Y=0.35745000 Z=0.70675000
Bi         NPT=  781  R0=.000005000 RMT= 2.14        Z:  83.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.78010000 Y=0.25000000 Z=0.25000000
          MULT= 4          ISPLIT= 8
      -3: X=0.21990000 Y=0.75000000 Z=0.75000000
      -3: X=0.28010000 Y=0.25000000 Z=0.75000000
      -3: X=0.71990000 Y=0.75000000 Z=0.25000000
Br         NPT=  781  R0=.000050000 RMT= 2.50000     Z:  35.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -4: X=0.01800000 Y=0.08930000 Z=0.03790000
          MULT= 8          ISPLIT= 8
      -4: X=0.98200000 Y=0.91070000 Z=0.96210000
      -4: X=0.51800000 Y=0.08930000 Z=0.96210000
      -4: X=0.48200000 Y=0.91070000 Z=0.03790000
      -4: X=0.98200000 Y=0.58930000 Z=0.53790000
      -4: X=0.01800000 Y=0.41070000 Z=0.46210000
      -4: X=0.48200000 Y=0.58930000 Z=0.46210000
      -4: X=0.51800000 Y=0.41070000 Z=0.53790000
O          NPT=  781  R0=.000100000 RMT= 1.75        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=0.09100000 Y=0.56040000 Z=0.08100000
          MULT= 8          ISPLIT= 8
      -5: X=0.90900000 Y=0.43960000 Z=0.91900000
      -5: X=0.59100000 Y=0.56040000 Z=0.91900000
      -5: X=0.40900000 Y=0.43960000 Z=0.08100000
      -5: X=0.90900000 Y=0.06040000 Z=0.58100000
      -5: X=0.09100000 Y=0.93960000 Z=0.41900000
      -5: X=0.40900000 Y=0.06040000 Z=0.41900000
      -5: X=0.59100000 Y=0.93960000 Z=0.58100000
O          NPT=  781  R0=.000100000 RMT= 1.75        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000