CXY LATTICE,NONEQUIV.ATOMS   5   20 C2221                                      
MODE OF CALC=RELA unit=bohr                                                    
 11.670949 20.023538 33.005957 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.06530000 Y=0.33028000 Z=0.10570000
          MULT= 4          ISPLIT= 8
      -1: X=0.93470000 Y=0.66972000 Z=0.60570000
      -1: X=0.06530000 Y=0.66972000 Z=0.89430000
      -1: X=0.93470000 Y=0.33028000 Z=0.39430000
Bi         NPT=  781  R0=.000005000 RMT= 2.46        Z:  83.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.00000000 Y=0.33590000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -2: X=0.00000000 Y=0.66410000 Z=0.75000000
Zn         NPT=  781  R0=.000050000 RMT= 2.34        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  -3: X=0.55830000 Y=0.16220000 Z=0.10500000
          MULT= 4          ISPLIT= 8
      -3: X=0.44170000 Y=0.83780000 Z=0.60500000
      -3: X=0.55830000 Y=0.83780000 Z=0.89500000
      -3: X=0.44170000 Y=0.16220000 Z=0.39500000
K          NPT=  781  R0=.000050000 RMT= 2.50000     Z:  19.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.06200000 Y=0.00000000 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -4: X=0.93800000 Y=0.00000000 Z=0.50000000
K          NPT=  781  R0=.000050000 RMT= 2.50000     Z:  19.00000              
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=0.00830000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -5: X=0.00000000 Y=0.99170000 Z=0.75000000
K          NPT=  781  R0=.000050000 RMT= 2.50000     Z:  19.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000