P   LATTICE,NONEQUIV.ATOMS   4   52 Pnna                                       
MODE OF CALC=RELA unit=bohr                                                    
 15.027102 19.577563 19.692836 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.25000000 Y=0.00000000 Z=0.67890000
          MULT= 4          ISPLIT= 8
      -1: X=0.75000000 Y=0.00000000 Z=0.32110000
      -1: X=0.75000000 Y=0.50000000 Z=0.17890000
      -1: X=0.25000000 Y=0.50000000 Z=0.82110000
Tl         NPT=  781  R0=.000005000 RMT= 2.50000     Z:  81.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.15010000 Y=0.19140000 Z=0.54550000
          MULT= 8          ISPLIT= 8
      -2: X=0.84990000 Y=0.80860000 Z=0.45450000
      -2: X=0.65010000 Y=0.19140000 Z=0.45450000
      -2: X=0.34990000 Y=0.80860000 Z=0.54550000
      -2: X=0.84990000 Y=0.69140000 Z=0.04550000
      -2: X=0.15010000 Y=0.30860000 Z=0.95450000
      -2: X=0.34990000 Y=0.69140000 Z=0.95450000
      -2: X=0.65010000 Y=0.30860000 Z=0.04550000
Br         NPT=  781  R0=.000050000 RMT= 2.27        Z:  35.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.00490000 Y=0.04480000 Z=0.17830000
          MULT= 8          ISPLIT= 8
      -3: X=0.99510000 Y=0.95520000 Z=0.82170000
      -3: X=0.50490000 Y=0.04480000 Z=0.82170000
      -3: X=0.49510000 Y=0.95520000 Z=0.17830000
      -3: X=0.99510000 Y=0.54480000 Z=0.67830000
      -3: X=0.00490000 Y=0.45520000 Z=0.32170000
      -3: X=0.49510000 Y=0.54480000 Z=0.32170000
      -3: X=0.50490000 Y=0.45520000 Z=0.67830000
Br         NPT=  781  R0=.000050000 RMT= 2.27        Z:  35.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.31870000 Y=0.25000000 Z=0.25000000
          MULT= 4          ISPLIT= 8
      -4: X=0.68130000 Y=0.75000000 Z=0.75000000
      -4: X=0.81870000 Y=0.25000000 Z=0.75000000
      -4: X=0.18130000 Y=0.75000000 Z=0.25000000
K          NPT=  781  R0=.000050000 RMT= 2.50000     Z:  19.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000