CXY LATTICE,NONEQUIV.ATOMS   7   63 Cmcm                                       
MODE OF CALC=RELA unit=bohr                                                    
 12.819902 20.974070 15.919053 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -1: X=0.00000000 Y=0.00000000 Z=0.50000000
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=0.00000000 Y=0.69050000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -2: X=0.00000000 Y=0.30950000 Z=0.75000000
Cd         NPT=  781  R0=.000010000 RMT= 2.18        Z:  48.00000              
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=0.30940000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -3: X=0.00000000 Y=0.69060000 Z=0.75000000
Zr         NPT=  781  R0=.000010000 RMT= 1.92        Z:  40.00000              
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=0.49100000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -4: X=0.00000000 Y=0.50900000 Z=0.75000000
F          NPT=  781  R0=.000100000 RMT= 1.83        Z:   9.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -5: X=0.17870000 Y=0.15420000 Z=0.25000000
          MULT= 4          ISPLIT= 8
      -5: X=0.82130000 Y=0.84580000 Z=0.75000000
      -5: X=0.82130000 Y=0.15420000 Z=0.25000000
      -5: X=0.17870000 Y=0.84580000 Z=0.75000000
F          NPT=  781  R0=.000100000 RMT= 1.83        Z:   9.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.29630000 Y=0.35890000 Z=0.25000000
          MULT= 4          ISPLIT= 8
      -6: X=0.70370000 Y=0.64110000 Z=0.75000000
      -6: X=0.70370000 Y=0.35890000 Z=0.25000000
      -6: X=0.29630000 Y=0.64110000 Z=0.75000000
F          NPT=  781  R0=.000100000 RMT= 1.83        Z:   9.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -7: X=0.00000000 Y=0.29910000 Z=0.01370000
          MULT= 4          ISPLIT= 8
      -7: X=0.00000000 Y=0.70090000 Z=0.98630000
      -7: X=0.00000000 Y=0.29910000 Z=0.48630000
      -7: X=0.00000000 Y=0.70090000 Z=0.51370000
F          NPT=  781  R0=.000100000 RMT= 1.83        Z:   9.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000