P   LATTICE,NONEQUIV.ATOMS   6   62 Pnma                                       
MODE OF CALC=RELA unit=bohr                                                    
 14.773879 11.207966 20.095348 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.17125000 Y=0.25000000 Z=0.41154000
          MULT= 4          ISPLIT= 8
      -1: X=0.82875000 Y=0.75000000 Z=0.58846000
      -1: X=0.67125000 Y=0.25000000 Z=0.08846000
      -1: X=0.32875000 Y=0.75000000 Z=0.91154000
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=0.49330000 Y=0.25000000 Z=0.70400000
          MULT= 4          ISPLIT= 8
      -2: X=0.50670000 Y=0.75000000 Z=0.29600000
      -2: X=0.99330000 Y=0.25000000 Z=0.79600000
      -2: X=0.00670000 Y=0.75000000 Z=0.20400000
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  -3: X=0.22420000 Y=0.25000000 Z=0.07980000
          MULT= 4          ISPLIT= 8
      -3: X=0.77580000 Y=0.75000000 Z=0.92020000
      -3: X=0.72420000 Y=0.25000000 Z=0.42020000
      -3: X=0.27580000 Y=0.75000000 Z=0.57980000
S          NPT=  781  R0=.000100000 RMT= 1.34        Z:  16.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -4: X=0.03490000 Y=0.25000000 Z=0.08320000
          MULT= 4          ISPLIT= 8
      -4: X=0.96510000 Y=0.75000000 Z=0.91680000
      -4: X=0.53490000 Y=0.25000000 Z=0.41680000
      -4: X=0.46510000 Y=0.75000000 Z=0.58320000
O          NPT=  781  R0=.000100000 RMT= 1.41        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=0.78430000 Y=0.25000000 Z=0.55030000
          MULT= 4          ISPLIT= 8
      -5: X=0.21570000 Y=0.75000000 Z=0.44970000
      -5: X=0.28430000 Y=0.25000000 Z=0.94970000
      -5: X=0.71570000 Y=0.75000000 Z=0.05030000
O          NPT=  781  R0=.000100000 RMT= 1.41        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  -6: X=0.29050000 Y=0.04700000 Z=0.14160000
          MULT= 8          ISPLIT= 8
      -6: X=0.70950000 Y=0.95300000 Z=0.85840000
      -6: X=0.79050000 Y=0.04700000 Z=0.35840000
      -6: X=0.20950000 Y=0.95300000 Z=0.64160000
      -6: X=0.20950000 Y=0.54700000 Z=0.64160000
      -6: X=0.79050000 Y=0.45300000 Z=0.35840000
      -6: X=0.70950000 Y=0.54700000 Z=0.85840000
      -6: X=0.29050000 Y=0.45300000 Z=0.14160000
O          NPT=  781  R0=.000100000 RMT= 1.41        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000