CXY LATTICE,NONEQUIV.ATOMS   5   64 Cmca                                       
MODE OF CALC=RELA unit=bohr                                                    
 29.221024 28.717790 15.115163 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.25000000 Y=0.28138000 Z=0.25000000
          MULT= 4          ISPLIT= 8
      -1: X=0.75000000 Y=0.71862000 Z=0.75000000
      -1: X=0.25000000 Y=0.78138000 Z=0.25000000
      -1: X=0.75000000 Y=0.21862000 Z=0.75000000
K          NPT=  781  R0=.000050000 RMT= 2.50000     Z:  19.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -2: X=0.17814000 Y=0.00000000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -2: X=0.82186000 Y=0.00000000 Z=0.00000000
      -2: X=0.17814000 Y=0.50000000 Z=0.50000000
      -2: X=0.82186000 Y=0.50000000 Z=0.50000000
K          NPT=  781  R0=.000050000 RMT= 2.50000     Z:  19.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -3: X=0.00000000 Y=0.20123000 Z=0.06877000
          MULT= 4          ISPLIT= 8
      -3: X=0.00000000 Y=0.79877000 Z=0.93123000
      -3: X=0.00000000 Y=0.70123000 Z=0.43123000
      -3: X=0.00000000 Y=0.29877000 Z=0.56877000
K          NPT=  781  R0=.000050000 RMT= 2.50000     Z:  19.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -4: X=0.38327000 Y=0.10744000 Z=0.07556000
          MULT= 8          ISPLIT= 8
      -4: X=0.61673000 Y=0.89256000 Z=0.92444000
      -4: X=0.38327000 Y=0.60744000 Z=0.42444000
      -4: X=0.61673000 Y=0.39256000 Z=0.57556000
      -4: X=0.61673000 Y=0.10744000 Z=0.07556000
      -4: X=0.38327000 Y=0.89256000 Z=0.92444000
      -4: X=0.61673000 Y=0.60744000 Z=0.42444000
      -4: X=0.38327000 Y=0.39256000 Z=0.57556000
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  -5: X=0.00000000 Y=0.45640000 Z=0.21645000
          MULT= 4          ISPLIT= 8
      -5: X=0.00000000 Y=0.54360000 Z=0.78355000
      -5: X=0.00000000 Y=0.95640000 Z=0.28355000
      -5: X=0.00000000 Y=0.04360000 Z=0.71645000
Tl         NPT=  781  R0=.000005000 RMT= 2.50000     Z:  81.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000