CXY LATTICE,NONEQUIV.ATOMS   8   63 Cmcm                                       
MODE OF CALC=RELA unit=bohr                                                    
 14.549002 21.569334 22.298768 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.04710000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -1: X=0.00000000 Y=0.95290000 Z=0.75000000
Ti         NPT=  781  R0=.000050000 RMT= 2.50000     Z:  22.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -2: X=0.16810000 Y=0.18640000 Z=0.07021000
          MULT= 8          ISPLIT= 8
      -2: X=0.83190000 Y=0.81360000 Z=0.92979000
      -2: X=0.16810000 Y=0.18640000 Z=0.42979000
      -2: X=0.83190000 Y=0.81360000 Z=0.57021000
      -2: X=0.83190000 Y=0.18640000 Z=0.07021000
      -2: X=0.16810000 Y=0.81360000 Z=0.92979000
      -2: X=0.83190000 Y=0.18640000 Z=0.42979000
      -2: X=0.16810000 Y=0.81360000 Z=0.57021000
Zn         NPT=  781  R0=.000050000 RMT= 2.37        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=0.20543000 Y=0.44755000 Z=0.13535000
          MULT= 8          ISPLIT= 8
      -3: X=0.79457000 Y=0.55245000 Z=0.86465000
      -3: X=0.20543000 Y=0.44755000 Z=0.36465000
      -3: X=0.79457000 Y=0.55245000 Z=0.63535000
      -3: X=0.79457000 Y=0.44755000 Z=0.13535000
      -3: X=0.20543000 Y=0.55245000 Z=0.86465000
      -3: X=0.79457000 Y=0.44755000 Z=0.36465000
      -3: X=0.20543000 Y=0.55245000 Z=0.63535000
Zn         NPT=  781  R0=.000050000 RMT= 2.37        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=0.33361000 Y=0.14449000 Z=0.25000000
          MULT= 4          ISPLIT= 8
      -4: X=0.66639000 Y=0.85551000 Z=0.75000000
      -4: X=0.66639000 Y=0.14449000 Z=0.25000000
      -4: X=0.33361000 Y=0.85551000 Z=0.75000000
Zn         NPT=  781  R0=.000050000 RMT= 2.37        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=0.17634000 Z=0.64058000
          MULT= 4          ISPLIT= 8
      -5: X=0.00000000 Y=0.82366000 Z=0.35942000
      -5: X=0.00000000 Y=0.17634000 Z=0.85942000
      -5: X=0.00000000 Y=0.82366000 Z=0.14058000
Zn         NPT=  781  R0=.000050000 RMT= 2.37        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=0.61925000 Z=0.03071000
          MULT= 4          ISPLIT= 8
      -6: X=0.00000000 Y=0.38075000 Z=0.96929000
      -6: X=0.00000000 Y=0.61925000 Z=0.46929000
      -6: X=0.00000000 Y=0.38075000 Z=0.53071000
Zn         NPT=  781  R0=.000050000 RMT= 2.37        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=0.28820000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -7: X=0.00000000 Y=0.71180000 Z=0.75000000
Zn         NPT=  781  R0=.000050000 RMT= 2.37        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= 2.37        Z:  30.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000