CXY LATTICE,NONEQUIV.ATOMS   7   63 Cmcm                                       
MODE OF CALC=RELA unit=bohr                                                    
 12.812343 20.889033 15.911494 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
Rb         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  37.00000              
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=0.30870000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -3: X=0.00000000 Y=0.69130000 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=0.49040000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -4: X=0.00000000 Y=0.50960000 Z=0.75000000
F          NPT=  781  R0=.000100000 RMT= 1.82        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=0.17820000 Y=0.15180000 Z=0.25000000
          MULT= 4          ISPLIT= 8
      -5: X=0.82180000 Y=0.84820000 Z=0.75000000
      -5: X=0.82180000 Y=0.15180000 Z=0.25000000
      -5: X=0.17820000 Y=0.84820000 Z=0.75000000
F          NPT=  781  R0=.000100000 RMT= 1.82        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=0.35680000 Z=0.25000000
          MULT= 4          ISPLIT= 8
      -6: X=0.70370000 Y=0.64320000 Z=0.75000000
      -6: X=0.70370000 Y=0.35680000 Z=0.25000000
      -6: X=0.29630000 Y=0.64320000 Z=0.75000000
F          NPT=  781  R0=.000100000 RMT= 1.82        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=0.29610000 Z=0.01430000
          MULT= 4          ISPLIT= 8
      -7: X=0.00000000 Y=0.70390000 Z=0.98570000
      -7: X=0.00000000 Y=0.29610000 Z=0.48570000
      -7: X=0.00000000 Y=0.70390000 Z=0.51430000
F          NPT=  781  R0=.000100000 RMT= 1.82        Z:   9.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000