P   LATTICE,NONEQUIV.ATOMS   7   19 P212121                                    
MODE OF CALC=RELA unit=bohr                                                    
 11.779230 14.792776 19.904485 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.52661000 Y=0.25655000 Z=0.28367000
          MULT= 4          ISPLIT= 8
      -1: X=0.97339000 Y=0.74345000 Z=0.78367000
      -1: X=0.02661000 Y=0.24345000 Z=0.71633000
      -1: X=0.47339000 Y=0.75655000 Z=0.21633000
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=0.02098000 Y=0.07771000 Z=0.08030000
          MULT= 4          ISPLIT= 8
      -2: X=0.47902000 Y=0.92229000 Z=0.58030000
      -2: X=0.52098000 Y=0.42229000 Z=0.91970000
      -2: X=0.97902000 Y=0.57771000 Z=0.41970000
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  -3: X=0.00880000 Y=0.54330000 Z=0.08328000
          MULT= 4          ISPLIT= 8
      -3: X=0.49120000 Y=0.45670000 Z=0.58328000
      -3: X=0.50880000 Y=0.95670000 Z=0.91672000
      -3: X=0.99120000 Y=0.04330000 Z=0.41672000
Se         NPT=  781  R0=.000050000 RMT= 1.62        Z:  34.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.42300000 Y=0.25500000 Z=0.55510000
          MULT= 4          ISPLIT= 8
      -4: X=0.07700000 Y=0.74500000 Z=0.05510000
      -4: X=0.92300000 Y=0.24500000 Z=0.44490000
      -4: X=0.57700000 Y=0.75500000 Z=0.94490000
O          NPT=  781  R0=.000100000 RMT= 1.47        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=0.45300000 Y=0.04890000 Z=0.05370000
          MULT= 4          ISPLIT= 8
      -5: X=0.04700000 Y=0.95110000 Z=0.55370000
      -5: X=0.95300000 Y=0.45110000 Z=0.94630000
      -5: X=0.54700000 Y=0.54890000 Z=0.44630000
O          NPT=  781  R0=.000100000 RMT= 1.47        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  -6: X=0.21700000 Y=0.45200000 Z=0.15060000
          MULT= 4          ISPLIT= 8
      -6: X=0.28300000 Y=0.54800000 Z=0.65060000
      -6: X=0.71700000 Y=0.04800000 Z=0.84940000
      -6: X=0.78300000 Y=0.95200000 Z=0.34940000
O          NPT=  781  R0=.000100000 RMT= 1.47        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=0.20300000 Y=0.02800000 Z=0.32230000
          MULT= 4          ISPLIT= 8
      -7: X=0.29700000 Y=0.97200000 Z=0.82230000
      -7: X=0.70300000 Y=0.47200000 Z=0.67770000
      -7: X=0.79700000 Y=0.52800000 Z=0.17770000
O          NPT=  781  R0=.000100000 RMT= 1.47        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000