CXY LATTICE,NONEQUIV.ATOMS   5   63 Cmcm    
MODE OF CALC=RELA unit=bohr
 19.367803 15.609138 19.689057 90.000000 90.000000 90.000000
ATOM  -1: X=0.00000000 Y=0.63200000 Z=0.25000000
          MULT= 2          ISPLIT=15
      -1: X=0.00000000 Y=0.36800000 Z=0.75000000
Th         NPT=  781  R0=.000005000 RMT=   2.00000   Z:  90.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.20600000 Y=0.00000000 Z=0.00000000
          MULT= 4          ISPLIT=15
      -2: X=0.79400000 Y=0.00000000 Z=0.00000000
      -2: X=0.20600000 Y=0.00000000 Z=0.50000000
      -2: X=0.79400000 Y=0.00000000 Z=0.50000000
Th         NPT=  781  R0=.000005000 RMT=   2.00000   Z:  90.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.00000000 Y=0.01800000 Z=0.25000000
          MULT= 2          ISPLIT=15
      -3: X=0.00000000 Y=0.98200000 Z=0.75000000
Tl         NPT=  781  R0=.000005000 RMT=   2.00000   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  -4: X=0.00000000 Y=0.30900000 Z=0.05200000
          MULT= 4          ISPLIT=15
      -4: X=0.00000000 Y=0.69100000 Z=0.94800000
      -4: X=0.00000000 Y=0.30900000 Z=0.44800000
      -4: X=0.00000000 Y=0.69100000 Z=0.55200000
Tl         NPT=  781  R0=.000005000 RMT=   2.00000   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=0.20800000 Y=0.28400000 Z=0.25000000
          MULT= 4          ISPLIT=15
      -5: X=0.79200000 Y=0.71600000 Z=0.75000000
      -5: X=0.79200000 Y=0.28400000 Z=0.25000000
      -5: X=0.20800000 Y=0.71600000 Z=0.75000000
Tl         NPT=  781  R0=.000005000 RMT=   2.00000   Z:  81.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000