CXY LATTICE,NONEQUIV.ATOMS   6   64 Cmca                                       
MODE OF CALC=RELA unit=bohr                                                    
 25.226521 22.479237 19.396527 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.33265000 Y=0.36446000 Z=0.02178000
          MULT= 8          ISPLIT= 8
      -1: X=0.66735000 Y=0.63554000 Z=0.97822000
      -1: X=0.33265000 Y=0.86446000 Z=0.47822000
      -1: X=0.66735000 Y=0.13554000 Z=0.52178000
      -1: X=0.66735000 Y=0.36446000 Z=0.02178000
      -1: X=0.33265000 Y=0.63554000 Z=0.97822000
      -1: X=0.66735000 Y=0.86446000 Z=0.47822000
      -1: X=0.33265000 Y=0.13554000 Z=0.52178000
Br         NPT=  781  R0=.000050000 RMT= 2.10        Z:  35.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.11866000 Y=0.07223000 Z=0.33275000
          MULT= 8          ISPLIT= 8
      -2: X=0.88134000 Y=0.92777000 Z=0.66725000
      -2: X=0.11866000 Y=0.57223000 Z=0.16725000
      -2: X=0.88134000 Y=0.42777000 Z=0.83275000
      -2: X=0.88134000 Y=0.07223000 Z=0.33275000
      -2: X=0.11866000 Y=0.92777000 Z=0.66725000
      -2: X=0.88134000 Y=0.57223000 Z=0.16725000
      -2: X=0.11866000 Y=0.42777000 Z=0.83275000
Cl         NPT=  781  R0=.000100000 RMT= 1.93        Z:  17.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.00000000 Y=0.34800000 Z=0.17140000
          MULT= 4          ISPLIT= 8
      -3: X=0.00000000 Y=0.65200000 Z=0.82860000
      -3: X=0.00000000 Y=0.84800000 Z=0.32860000
      -3: X=0.00000000 Y=0.15200000 Z=0.67140000
Cl         NPT=  781  R0=.000100000 RMT= 1.93        Z:  17.00000              
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=0.00085000 Z=0.25664000
          MULT= 4          ISPLIT= 8
      -4: X=0.00000000 Y=0.99915000 Z=0.74336000
      -4: X=0.00000000 Y=0.50085000 Z=0.24336000
      -4: X=0.00000000 Y=0.49915000 Z=0.75664000
P          NPT=  781  R0=.000100000 RMT= 1.42        Z:  15.00000              
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=0.01230000 Z=0.10610000
          MULT= 4          ISPLIT= 8
      -5: X=0.00000000 Y=0.98770000 Z=0.89390000
      -5: X=0.00000000 Y=0.51230000 Z=0.39390000
      -5: X=0.00000000 Y=0.48770000 Z=0.60610000
N          NPT=  781  R0=.000100000 RMT= 1.49        Z:   7.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -6: X=0.08230000 Y=0.00000000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -6: X=0.91770000 Y=0.00000000 Z=0.00000000
      -6: X=0.08230000 Y=0.50000000 Z=0.50000000
      -6: X=0.91770000 Y=0.50000000 Z=0.50000000
B          NPT=  781  R0=.000100000 RMT= 1.39        Z:   5.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000