P   LATTICE,NONEQUIV.ATOMS   7   55 Pbam                                       
MODE OF CALC=RELA unit=bohr                                                    
 25.951609 28.102117  8.573687 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.11170000 Y=0.14200000 Z=0.50000000
          MULT= 4          ISPLIT= 8
      -1: X=0.88830000 Y=0.85800000 Z=0.50000000
      -1: X=0.38830000 Y=0.64200000 Z=0.50000000
      -1: X=0.61170000 Y=0.35800000 Z=0.50000000
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=0.00000000 Y=0.50000000 Z=0.50000000
          MULT= 2          ISPLIT= 8
      -2: X=0.50000000 Y=0.00000000 Z=0.50000000
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=0.26230000 Y=0.38890000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -3: X=0.73770000 Y=0.61110000 Z=0.00000000
      -3: X=0.23770000 Y=0.88890000 Z=0.00000000
      -3: X=0.76230000 Y=0.11110000 Z=0.00000000
Cd         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  48.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.29700000 Y=0.06530000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -4: X=0.70300000 Y=0.93470000 Z=0.00000000
      -4: X=0.20300000 Y=0.56530000 Z=0.00000000
      -4: X=0.79700000 Y=0.43470000 Z=0.00000000
I          NPT=  781  R0=.000010000 RMT= 2.50000     Z:  53.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.06780000 Y=0.31620000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -5: X=0.93220000 Y=0.68380000 Z=0.00000000
      -5: X=0.43220000 Y=0.81620000 Z=0.00000000
      -5: X=0.56780000 Y=0.18380000 Z=0.00000000
I          NPT=  781  R0=.000010000 RMT= 2.50000     Z:  53.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.34110000 Y=0.30420000 Z=0.50000000
          MULT= 4          ISPLIT= 8
      -6: X=0.65890000 Y=0.69580000 Z=0.50000000
      -6: X=0.15890000 Y=0.80420000 Z=0.50000000
      -6: X=0.84110000 Y=0.19580000 Z=0.50000000
I          NPT=  781  R0=.000010000 RMT= 2.50000     Z:  53.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -7: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -7: X=0.50000000 Y=0.50000000 Z=0.00000000
I          NPT=  781  R0=.000010000 RMT= 2.50000     Z:  53.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000