P   LATTICE,NONEQUIV.ATOMS   5   62 Pnma                                       
MODE OF CALC=RELA unit=bohr                                                    
 16.860137  7.553235 28.020859 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.43210000 Y=0.25000000 Z=0.67810000
          MULT= 4          ISPLIT= 8
      -1: X=0.56790000 Y=0.75000000 Z=0.32190000
      -1: X=0.93210000 Y=0.25000000 Z=0.82190000
      -1: X=0.06790000 Y=0.75000000 Z=0.17810000
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=0.17450000 Y=0.25000000 Z=0.44530000
          MULT= 4          ISPLIT= 8
      -2: X=0.82550000 Y=0.75000000 Z=0.55470000
      -2: X=0.67450000 Y=0.25000000 Z=0.05470000
      -2: X=0.32550000 Y=0.75000000 Z=0.94530000
Cd         NPT=  781  R0=.000010000 RMT= 2.36        Z:  48.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -3: X=0.28300000 Y=0.25000000 Z=0.30200000
          MULT= 4          ISPLIT= 8
      -3: X=0.71700000 Y=0.75000000 Z=0.69800000
      -3: X=0.78300000 Y=0.25000000 Z=0.19800000
      -3: X=0.21700000 Y=0.75000000 Z=0.80200000
Cl         NPT=  781  R0=.000100000 RMT= 2.03        Z:  17.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -4: X=0.16000000 Y=0.25000000 Z=0.01400000
          MULT= 4          ISPLIT= 8
      -4: X=0.84000000 Y=0.75000000 Z=0.98600000
      -4: X=0.66000000 Y=0.25000000 Z=0.48600000
      -4: X=0.34000000 Y=0.75000000 Z=0.51400000
Cl         NPT=  781  R0=.000100000 RMT= 2.03        Z:  17.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -5: X=0.02700000 Y=0.25000000 Z=0.62300000
          MULT= 4          ISPLIT= 8
      -5: X=0.97300000 Y=0.75000000 Z=0.37700000
      -5: X=0.52700000 Y=0.25000000 Z=0.87700000
      -5: X=0.47300000 Y=0.75000000 Z=0.12300000
Cl         NPT=  781  R0=.000100000 RMT= 2.03        Z:  17.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000