P   LATTICE,NONEQUIV.ATOMS   5   62 Pnma                                       
MODE OF CALC=RELA unit=bohr                                                    
 17.272097 11.430953 14.384595 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.17500000 Y=0.25000000 Z=0.66660000
          MULT= 4          ISPLIT= 8
      -1: X=0.82500000 Y=0.75000000 Z=0.33340000
      -1: X=0.67500000 Y=0.25000000 Z=0.83340000
      -1: X=0.32500000 Y=0.75000000 Z=0.16660000
Tl         NPT=  781  R0=.000005000 RMT= 2.50000     Z:  81.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -2: X=0.07530000 Y=0.25000000 Z=0.18550000
          MULT= 4          ISPLIT= 8
      -2: X=0.92470000 Y=0.75000000 Z=0.81450000
      -2: X=0.57530000 Y=0.25000000 Z=0.31450000
      -2: X=0.42470000 Y=0.75000000 Z=0.68550000
Br         NPT=  781  R0=.000050000 RMT= 1.57        Z:  35.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -3: X=0.22140000 Y=0.25000000 Z=0.05980000
          MULT= 4          ISPLIT= 8
      -3: X=0.77860000 Y=0.75000000 Z=0.94020000
      -3: X=0.72140000 Y=0.25000000 Z=0.44020000
      -3: X=0.27860000 Y=0.75000000 Z=0.55980000
O          NPT=  781  R0=.000100000 RMT= 1.42        Z:   8.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -4: X=0.42550000 Y=0.25000000 Z=0.42480000
          MULT= 4          ISPLIT= 8
      -4: X=0.57450000 Y=0.75000000 Z=0.57520000
      -4: X=0.92550000 Y=0.25000000 Z=0.07520000
      -4: X=0.07450000 Y=0.75000000 Z=0.92480000
O          NPT=  781  R0=.000100000 RMT= 1.42        Z:   8.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -5: X=0.08400000 Y=0.03720000 Z=0.30850000
          MULT= 8          ISPLIT= 8
      -5: X=0.91600000 Y=0.96280000 Z=0.69150000
      -5: X=0.58400000 Y=0.03720000 Z=0.19150000
      -5: X=0.41600000 Y=0.96280000 Z=0.80850000
      -5: X=0.41600000 Y=0.53720000 Z=0.80850000
      -5: X=0.58400000 Y=0.46280000 Z=0.19150000
      -5: X=0.91600000 Y=0.53720000 Z=0.69150000
      -5: X=0.08400000 Y=0.46280000 Z=0.30850000
O          NPT=  781  R0=.000100000 RMT= 1.42        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000