CXY LATTICE,NONEQUIV.ATOMS   6   64 Cmca                                       
MODE OF CALC=RELA unit=bohr                                                    
 13.569556 19.521627  9.428978 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.25000000 Y=0.14150000 Z=0.25000000
          MULT= 4          ISPLIT= 8
      -1: X=0.75000000 Y=0.85850000 Z=0.75000000
      -1: X=0.25000000 Y=0.64150000 Z=0.25000000
      -1: X=0.75000000 Y=0.35850000 Z=0.75000000
Zn         NPT=  781  R0=.000050000 RMT= 1.92        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  -2: X=0.00000000 Y=0.39200000 Z=0.25900000
          MULT= 4          ISPLIT= 8
      -2: X=0.00000000 Y=0.60800000 Z=0.74100000
      -2: X=0.00000000 Y=0.89200000 Z=0.24100000
      -2: X=0.00000000 Y=0.10800000 Z=0.75900000
W          NPT=  781  R0=.000005000 RMT= 1.88        Z:  74.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -3: X=0.25000000 Y=0.32590000 Z=0.25000000
          MULT= 4          ISPLIT= 8
      -3: X=0.75000000 Y=0.67410000 Z=0.75000000
      -3: X=0.25000000 Y=0.82590000 Z=0.25000000
      -3: X=0.75000000 Y=0.17410000 Z=0.75000000
O          NPT=  781  R0=.000100000 RMT= 1.62        Z:   8.00000              
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=0.22420000 Z=0.04440000
          MULT= 4          ISPLIT= 8
      -4: X=0.00000000 Y=0.77580000 Z=0.95560000
      -4: X=0.00000000 Y=0.72420000 Z=0.45560000
      -4: X=0.00000000 Y=0.27580000 Z=0.54440000
O          NPT=  781  R0=.000100000 RMT= 1.62        Z:   8.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -5: X=0.16000000 Y=0.00000000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -5: X=0.84000000 Y=0.00000000 Z=0.00000000
      -5: X=0.16000000 Y=0.50000000 Z=0.50000000
      -5: X=0.84000000 Y=0.50000000 Z=0.50000000
O          NPT=  781  R0=.000100000 RMT= 1.62        Z:   8.00000              
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=0.07830000 Z=0.37510000
          MULT= 4          ISPLIT= 8
      -6: X=0.00000000 Y=0.92170000 Z=0.62490000
      -6: X=0.00000000 Y=0.57830000 Z=0.12490000
      -6: X=0.00000000 Y=0.42170000 Z=0.87510000
O          NPT=  781  R0=.000100000 RMT= 1.62        Z:   8.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000