CXY LATTICE,NONEQUIV.ATOMS   5   64 Cmca                                       
MODE OF CALC=RELA unit=bohr                                                    
 23.694331 24.831190 14.207528 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.25000000 Y=0.31783000 Z=0.25000000
          MULT= 4          ISPLIT= 8
      -1: X=0.75000000 Y=0.68217000 Z=0.75000000
      -1: X=0.25000000 Y=0.81783000 Z=0.25000000
      -1: X=0.75000000 Y=0.18217000 Z=0.75000000
Na         NPT=  781  R0=.000100000 RMT= 2.50000     Z:  11.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -2: X=0.15605000 Y=0.00000000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -2: X=0.84395000 Y=0.00000000 Z=0.00000000
      -2: X=0.15605000 Y=0.50000000 Z=0.50000000
      -2: X=0.84395000 Y=0.50000000 Z=0.50000000
Na         NPT=  781  R0=.000100000 RMT= 2.50000     Z:  11.00000              
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=0.20685000 Z=0.05971000
          MULT= 4          ISPLIT= 8
      -3: X=0.00000000 Y=0.79315000 Z=0.94029000
      -3: X=0.00000000 Y=0.70685000 Z=0.44029000
      -3: X=0.00000000 Y=0.29315000 Z=0.55971000
Na         NPT=  781  R0=.000100000 RMT= 2.50000     Z:  11.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -4: X=0.35743000 Y=0.11736000 Z=0.12418000
          MULT= 8          ISPLIT= 8
      -4: X=0.64257000 Y=0.88264000 Z=0.87582000
      -4: X=0.35743000 Y=0.61736000 Z=0.37582000
      -4: X=0.64257000 Y=0.38264000 Z=0.62418000
      -4: X=0.64257000 Y=0.11736000 Z=0.12418000
      -4: X=0.35743000 Y=0.88264000 Z=0.87582000
      -4: X=0.64257000 Y=0.61736000 Z=0.37582000
      -4: X=0.35743000 Y=0.38264000 Z=0.62418000
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=0.42633000 Z=0.21220000
          MULT= 4          ISPLIT= 8
      -5: X=0.00000000 Y=0.57367000 Z=0.78780000
      -5: X=0.00000000 Y=0.92633000 Z=0.28780000
      -5: X=0.00000000 Y=0.07367000 Z=0.71220000
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