P   LATTICE,NONEQUIV.ATOMS   6   62 Pnma                                       
MODE OF CALC=RELA unit=bohr                                                    
 14.596245 11.064347 20.025428 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.49350000 Y=0.25000000 Z=0.71330000
          MULT= 4          ISPLIT= 8
      -1: X=0.50650000 Y=0.75000000 Z=0.28670000
      -1: X=0.99350000 Y=0.25000000 Z=0.78670000
      -1: X=0.00650000 Y=0.75000000 Z=0.21330000
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=0.16250000 Y=0.25000000 Z=0.41090000
          MULT= 4          ISPLIT= 8
      -2: X=0.83750000 Y=0.75000000 Z=0.58910000
      -2: X=0.66250000 Y=0.25000000 Z=0.08910000
      -2: X=0.33750000 Y=0.75000000 Z=0.91090000
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=0.21500000 Y=0.25000000 Z=0.07970000
          MULT= 4          ISPLIT= 8
      -3: X=0.78500000 Y=0.75000000 Z=0.92030000
      -3: X=0.71500000 Y=0.25000000 Z=0.42030000
      -3: X=0.28500000 Y=0.75000000 Z=0.57970000
Se         NPT=  781  R0=.000050000 RMT= 1.56        Z:  34.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -4: X=0.28500000 Y=0.02200000 Z=0.14200000
          MULT= 8          ISPLIT= 8
      -4: X=0.71500000 Y=0.97800000 Z=0.85800000
      -4: X=0.78500000 Y=0.02200000 Z=0.35800000
      -4: X=0.21500000 Y=0.97800000 Z=0.64200000
      -4: X=0.21500000 Y=0.52200000 Z=0.64200000
      -4: X=0.78500000 Y=0.47800000 Z=0.35800000
      -4: X=0.71500000 Y=0.52200000 Z=0.85800000
      -4: X=0.28500000 Y=0.47800000 Z=0.14200000
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
ATOM  -5: X=0.27500000 Y=0.25000000 Z=0.92200000
          MULT= 4          ISPLIT= 8
      -5: X=0.72500000 Y=0.75000000 Z=0.07800000
      -5: X=0.77500000 Y=0.25000000 Z=0.57800000
      -5: X=0.22500000 Y=0.75000000 Z=0.42200000
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=0.00500000 Y=0.25000000 Z=0.10800000
          MULT= 4          ISPLIT= 8
      -6: X=0.99500000 Y=0.75000000 Z=0.89200000
      -6: X=0.50500000 Y=0.25000000 Z=0.39200000
      -6: X=0.49500000 Y=0.75000000 Z=0.60800000
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