P   LATTICE,NONEQUIV.ATOMS   4   52 Pnna                                       
MODE OF CALC=RELA unit=bohr                                                    
 15.155604 19.558665 19.747638 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.67600000 Y=0.25000000 Z=0.25000000
          MULT= 4          ISPLIT= 8
      -1: X=0.32400000 Y=0.75000000 Z=0.75000000
      -1: X=0.17600000 Y=0.25000000 Z=0.75000000
      -1: X=0.82400000 Y=0.75000000 Z=0.25000000
Tl         NPT=  781  R0=.000005000 RMT= 2.44        Z:  81.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -2: X=0.25000000 Y=0.00000000 Z=0.18100000
          MULT= 4          ISPLIT= 8
      -2: X=0.75000000 Y=0.00000000 Z=0.81900000
      -2: X=0.75000000 Y=0.50000000 Z=0.68100000
      -2: X=0.25000000 Y=0.50000000 Z=0.31900000
Tl         NPT=  781  R0=.000005000 RMT= 2.44        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  -3: X=0.35400000 Y=0.18700000 Z=0.04500000
          MULT= 8          ISPLIT= 8
      -3: X=0.64600000 Y=0.81300000 Z=0.95500000
      -3: X=0.85400000 Y=0.18700000 Z=0.95500000
      -3: X=0.14600000 Y=0.81300000 Z=0.04500000
      -3: X=0.64600000 Y=0.68700000 Z=0.54500000
      -3: X=0.35400000 Y=0.31300000 Z=0.45500000
      -3: X=0.14600000 Y=0.68700000 Z=0.45500000
      -3: X=0.85400000 Y=0.31300000 Z=0.54500000
Br         NPT=  781  R0=.000050000 RMT= 2.21        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=0.00800000 Y=0.05000000 Z=0.32000000
          MULT= 8          ISPLIT= 8
      -4: X=0.99200000 Y=0.95000000 Z=0.68000000
      -4: X=0.50800000 Y=0.05000000 Z=0.68000000
      -4: X=0.49200000 Y=0.95000000 Z=0.32000000
      -4: X=0.99200000 Y=0.55000000 Z=0.82000000
      -4: X=0.00800000 Y=0.45000000 Z=0.18000000
      -4: X=0.49200000 Y=0.55000000 Z=0.18000000
      -4: X=0.50800000 Y=0.45000000 Z=0.82000000
Br         NPT=  781  R0=.000050000 RMT= 2.21        Z:  35.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000