P   LATTICE,NONEQUIV.ATOMS   5   58 Pnnm                                       
MODE OF CALC=RELA unit=bohr                                                    
 10.038225 31.879680  6.249324 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -1: X=0.50000000 Y=0.50000000 Z=0.50000000
Tl         NPT=  781  R0=.000005000 RMT= 2.19        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=0.41590000 Y=0.32090000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -2: X=0.58410000 Y=0.67910000 Z=0.00000000
      -2: X=0.08410000 Y=0.82090000 Z=0.50000000
      -2: X=0.91590000 Y=0.17910000 Z=0.50000000
Tl         NPT=  781  R0=.000005000 RMT= 2.19        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=0.18200000 Y=0.21900000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -3: X=0.81800000 Y=0.78100000 Z=0.00000000
      -3: X=0.31800000 Y=0.71900000 Z=0.50000000
      -3: X=0.68200000 Y=0.28100000 Z=0.50000000
O          NPT=  781  R0=.000100000 RMT= 1.79        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=0.73300000 Y=0.10900000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -4: X=0.26700000 Y=0.89100000 Z=0.00000000
      -4: X=0.76700000 Y=0.60900000 Z=0.50000000
      -4: X=0.23300000 Y=0.39100000 Z=0.50000000
O          NPT=  781  R0=.000100000 RMT= 1.79        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=0.27500000 Y=0.56200000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -5: X=0.72500000 Y=0.43800000 Z=0.00000000
      -5: X=0.22500000 Y=0.06200000 Z=0.50000000
      -5: X=0.77500000 Y=0.93800000 Z=0.50000000
O          NPT=  781  R0=.000100000 RMT= 1.79        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000