CXY LATTICE,NONEQUIV.ATOMS   5   63 Cmcm                                       
MODE OF CALC=RELA unit=bohr                                                    
 20.038656 16.393374 20.758642 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.30444000 Z=0.54902000
          MULT= 4          ISPLIT= 8
      -1: X=0.00000000 Y=0.69556000 Z=0.45098000
      -1: X=0.00000000 Y=0.30444000 Z=0.95098000
      -1: X=0.00000000 Y=0.69556000 Z=0.04902000
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
ATOM  -2: X=0.29487000 Y=0.22646000 Z=0.25000000
          MULT= 4          ISPLIT= 8
      -2: X=0.70513000 Y=0.77354000 Z=0.75000000
      -2: X=0.70513000 Y=0.22646000 Z=0.25000000
      -2: X=0.29487000 Y=0.77354000 Z=0.75000000
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=0.00000000 Y=0.00127000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -3: X=0.00000000 Y=0.99873000 Z=0.75000000
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  -4: X=0.00000000 Y=0.38450000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -4: X=0.00000000 Y=0.61550000 Z=0.75000000
Sr         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  38.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -5: X=0.20830000 Y=0.00000000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -5: X=0.79170000 Y=0.00000000 Z=0.00000000
      -5: X=0.20830000 Y=0.00000000 Z=0.50000000
      -5: X=0.79170000 Y=0.00000000 Z=0.50000000
Sr         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  38.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000