CXY LATTICE,NONEQUIV.ATOMS   5   63 Cmcm                                       
MODE OF CALC=RELA unit=bohr                                                    
  6.284284 20.828561 19.802440 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.36520000 Z=0.07250000
          MULT= 4          ISPLIT= 8
      -1: X=0.00000000 Y=0.63480000 Z=0.92750000
      -1: X=0.00000000 Y=0.36520000 Z=0.42750000
      -1: X=0.00000000 Y=0.63480000 Z=0.57250000
Tl         NPT=  781  R0=.000005000 RMT= 2.21        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=0.00000000 Y=0.10760000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -2: X=0.00000000 Y=0.89240000 Z=0.75000000
Ca         NPT=  781  R0=.000050000 RMT= 2.18        Z:  20.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -3: X=0.00000000 Y=0.28700000 Z=0.62800000
          MULT= 4          ISPLIT= 8
      -3: X=0.00000000 Y=0.71300000 Z=0.37200000
      -3: X=0.00000000 Y=0.28700000 Z=0.87200000
      -3: X=0.00000000 Y=0.71300000 Z=0.12800000
O          NPT=  781  R0=.000100000 RMT= 1.81        Z:   8.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -4: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -4: X=0.00000000 Y=0.00000000 Z=0.50000000
O          NPT=  781  R0=.000100000 RMT= 1.81        Z:   8.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -5: X=0.00000000 Y=0.46100000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -5: X=0.00000000 Y=0.53900000 Z=0.75000000
O          NPT=  781  R0=.000100000 RMT= 1.81        Z:   8.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000