CXY LATTICE,NONEQUIV.ATOMS   8   63 Cmcm                                       
MODE OF CALC=RELA unit=bohr                                                    
 14.543332 21.610908 22.039876 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.04803000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -1: X=0.00000000 Y=0.95197000 Z=0.75000000
Nb         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  41.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -2: X=0.16808000 Y=0.18677000 Z=0.06950000
          MULT= 8          ISPLIT= 8
      -2: X=0.83192000 Y=0.81323000 Z=0.93050000
      -2: X=0.16808000 Y=0.18677000 Z=0.43050000
      -2: X=0.83192000 Y=0.81323000 Z=0.56950000
      -2: X=0.83192000 Y=0.18677000 Z=0.06950000
      -2: X=0.16808000 Y=0.81323000 Z=0.93050000
      -2: X=0.83192000 Y=0.18677000 Z=0.43050000
      -2: X=0.16808000 Y=0.81323000 Z=0.56950000
Zn         NPT=  781  R0=.000050000 RMT= 2.36        Z:  30.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.20370000 Y=0.44792000 Z=0.13402000
          MULT= 8          ISPLIT= 8
      -3: X=0.79630000 Y=0.55208000 Z=0.86598000
      -3: X=0.20370000 Y=0.44792000 Z=0.36598000
      -3: X=0.79630000 Y=0.55208000 Z=0.63402000
      -3: X=0.79630000 Y=0.44792000 Z=0.13402000
      -3: X=0.20370000 Y=0.55208000 Z=0.86598000
      -3: X=0.79630000 Y=0.44792000 Z=0.36598000
      -3: X=0.20370000 Y=0.55208000 Z=0.63402000
Zn         NPT=  781  R0=.000050000 RMT= 2.36        Z:  30.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.33619000 Y=0.14394000 Z=0.25000000
          MULT= 4          ISPLIT= 8
      -4: X=0.66381000 Y=0.85606000 Z=0.75000000
      -4: X=0.66381000 Y=0.14394000 Z=0.25000000
      -4: X=0.33619000 Y=0.85606000 Z=0.75000000
Zn         NPT=  781  R0=.000050000 RMT= 2.36        Z:  30.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.00000000 Y=0.17564000 Z=0.64080000
          MULT= 4          ISPLIT= 8
      -5: X=0.00000000 Y=0.82436000 Z=0.35920000
      -5: X=0.00000000 Y=0.17564000 Z=0.85920000
      -5: X=0.00000000 Y=0.82436000 Z=0.14080000
Zn         NPT=  781  R0=.000050000 RMT= 2.36        Z:  30.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -6: X=0.00000000 Y=0.62026000 Z=0.03172000
          MULT= 4          ISPLIT= 8
      -6: X=0.00000000 Y=0.37974000 Z=0.96828000
      -6: X=0.00000000 Y=0.62026000 Z=0.46828000
      -6: X=0.00000000 Y=0.37974000 Z=0.53172000
Zn         NPT=  781  R0=.000050000 RMT= 2.36        Z:  30.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -7: X=0.00000000 Y=0.28941000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -7: X=0.00000000 Y=0.71059000 Z=0.75000000
Zn         NPT=  781  R0=.000050000 RMT= 2.36        Z:  30.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -8: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -8: X=0.00000000 Y=0.00000000 Z=0.50000000
Zn         NPT=  781  R0=.000050000 RMT= 2.36        Z:  30.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000