P   LATTICE,NONEQUIV.ATOMS   6   62 Pnma                                       
MODE OF CALC=RELA unit=bohr                                                    
 17.215405 21.089344 18.216960 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.11700000 Y=0.25000000 Z=0.39100000
          MULT= 4          ISPLIT= 8
      -1: X=0.88300000 Y=0.75000000 Z=0.60900000
      -1: X=0.61700000 Y=0.25000000 Z=0.10900000
      -1: X=0.38300000 Y=0.75000000 Z=0.89100000
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=0.06200000 Y=0.55000000 Z=0.19600000
          MULT= 8          ISPLIT= 8
      -2: X=0.93800000 Y=0.45000000 Z=0.80400000
      -2: X=0.56200000 Y=0.55000000 Z=0.30400000
      -2: X=0.43800000 Y=0.45000000 Z=0.69600000
      -2: X=0.43800000 Y=0.05000000 Z=0.69600000
      -2: X=0.56200000 Y=0.95000000 Z=0.30400000
      -2: X=0.93800000 Y=0.05000000 Z=0.80400000
      -2: X=0.06200000 Y=0.95000000 Z=0.19600000
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=0.72000000 Y=0.25000000 Z=0.53400000
          MULT= 4          ISPLIT= 8
      -3: X=0.28000000 Y=0.75000000 Z=0.46600000
      -3: X=0.22000000 Y=0.25000000 Z=0.96600000
      -3: X=0.78000000 Y=0.75000000 Z=0.03400000
As         NPT=  781  R0=.000050000 RMT= 2.04        Z:  33.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -4: X=0.19100000 Y=0.25000000 Z=0.73400000
          MULT= 4          ISPLIT= 8
      -4: X=0.80900000 Y=0.75000000 Z=0.26600000
      -4: X=0.69100000 Y=0.25000000 Z=0.76600000
      -4: X=0.30900000 Y=0.75000000 Z=0.23400000
Se         NPT=  781  R0=.000050000 RMT= 2.04        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  -5: X=0.00200000 Y=0.25000000 Z=0.06200000
          MULT= 4          ISPLIT= 8
      -5: X=0.99800000 Y=0.75000000 Z=0.93800000
      -5: X=0.50200000 Y=0.25000000 Z=0.43800000
      -5: X=0.49800000 Y=0.75000000 Z=0.56200000
Se         NPT=  781  R0=.000050000 RMT= 2.04        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  -6: X=0.34500000 Y=0.09400000 Z=0.03000000
          MULT= 8          ISPLIT= 8
      -6: X=0.65500000 Y=0.90600000 Z=0.97000000
      -6: X=0.84500000 Y=0.09400000 Z=0.47000000
      -6: X=0.15500000 Y=0.90600000 Z=0.53000000
      -6: X=0.15500000 Y=0.59400000 Z=0.53000000
      -6: X=0.84500000 Y=0.40600000 Z=0.47000000
      -6: X=0.65500000 Y=0.59400000 Z=0.97000000
      -6: X=0.34500000 Y=0.40600000 Z=0.03000000
Se         NPT=  781  R0=.000050000 RMT= 2.04        Z:  34.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000