P   LATTICE,NONEQUIV.ATOMS   8   58 Pnnm                                       
MODE OF CALC=RELA unit=bohr                                                    
 17.538548 18.139481 14.479082 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.27210000 Y=0.12500000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -1: X=0.72790000 Y=0.87500000 Z=0.00000000
      -1: X=0.22790000 Y=0.62500000 Z=0.50000000
      -1: X=0.77210000 Y=0.37500000 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=0.23470000 Y=0.75940000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -2: X=0.76530000 Y=0.24060000 Z=0.00000000
      -2: X=0.26530000 Y=0.25940000 Z=0.50000000
      -2: X=0.73470000 Y=0.74060000 Z=0.50000000
K          NPT=  781  R0=.000050000 RMT= 2.50000     Z:  19.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.00000000 Y=0.00000000 Z=0.25350000
          MULT= 4          ISPLIT= 8
      -3: X=0.00000000 Y=0.00000000 Z=0.74650000
      -3: X=0.50000000 Y=0.50000000 Z=0.75350000
      -3: X=0.50000000 Y=0.50000000 Z=0.24650000
K          NPT=  781  R0=.000050000 RMT= 2.50000     Z:  19.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.01710000 Y=0.34770000 Z=0.25010000
          MULT= 8          ISPLIT= 8
      -4: X=0.98290000 Y=0.65230000 Z=0.74990000
      -4: X=0.01710000 Y=0.34770000 Z=0.74990000
      -4: X=0.98290000 Y=0.65230000 Z=0.25010000
      -4: X=0.48290000 Y=0.84770000 Z=0.75010000
      -4: X=0.51710000 Y=0.15230000 Z=0.24990000
      -4: X=0.48290000 Y=0.84770000 Z=0.24990000
      -4: X=0.51710000 Y=0.15230000 Z=0.75010000
Na         NPT=  781  R0=.000100000 RMT= 2.08        Z:  11.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.23930000 Y=0.42310000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -5: X=0.76070000 Y=0.57690000 Z=0.00000000
      -5: X=0.26070000 Y=0.92310000 Z=0.50000000
      -5: X=0.73930000 Y=0.07690000 Z=0.50000000
Na         NPT=  781  R0=.000100000 RMT= 2.08        Z:  11.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.06470000 Y=0.22130000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -6: X=0.93530000 Y=0.77870000 Z=0.00000000
      -6: X=0.43530000 Y=0.72130000 Z=0.50000000
      -6: X=0.56470000 Y=0.27870000 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  -7: X=0.29720000 Y=0.01460000 Z=0.23760000
          MULT= 8          ISPLIT= 8
      -7: X=0.70280000 Y=0.98540000 Z=0.76240000
      -7: X=0.29720000 Y=0.01460000 Z=0.76240000
      -7: X=0.70280000 Y=0.98540000 Z=0.23760000
      -7: X=0.20280000 Y=0.51460000 Z=0.73760000
      -7: X=0.79720000 Y=0.48540000 Z=0.26240000
      -7: X=0.20280000 Y=0.51460000 Z=0.26240000
      -7: X=0.79720000 Y=0.48540000 Z=0.73760000
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  -8: X=0.44750000 Y=0.28130000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -8: X=0.55250000 Y=0.71870000 Z=0.00000000
      -8: X=0.05250000 Y=0.78130000 Z=0.50000000
      -8: X=0.94750000 Y=0.21870000 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