CXY LATTICE,NONEQUIV.ATOMS   6   63 Cmcm                                       
MODE OF CALC=RELA unit=bohr                                                    
 22.043466 13.408174 22.220345 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.21769000 Y=0.00000000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -1: X=0.78231000 Y=0.00000000 Z=0.00000000
      -1: X=0.21769000 Y=0.00000000 Z=0.50000000
      -1: X=0.78231000 Y=0.00000000 Z=0.50000000
Rb         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  37.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -2: X=0.14335000 Y=0.38326000 Z=0.25000000
          MULT= 4          ISPLIT= 8
      -2: X=0.85665000 Y=0.61674000 Z=0.75000000
      -2: X=0.85665000 Y=0.38326000 Z=0.25000000
      -2: X=0.14335000 Y=0.61674000 Z=0.75000000
Zn         NPT=  781  R0=.000050000 RMT= 2.39        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=0.00000000 Y=0.65403000 Z=0.10868000
          MULT= 4          ISPLIT= 8
      -3: X=0.00000000 Y=0.34597000 Z=0.89132000
      -3: X=0.00000000 Y=0.65403000 Z=0.39132000
      -3: X=0.00000000 Y=0.34597000 Z=0.60868000
Zn         NPT=  781  R0=.000050000 RMT= 2.39        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  -4: X=0.00000000 Y=0.00991000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -4: X=0.00000000 Y=0.99009000 Z=0.75000000
Zn         NPT=  781  R0=.000050000 RMT= 2.39        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  -5: X=0.34319000 Y=0.25739000 Z=0.25000000
          MULT= 4          ISPLIT= 8
      -5: X=0.65681000 Y=0.74261000 Z=0.75000000
      -5: X=0.65681000 Y=0.25739000 Z=0.25000000
      -5: X=0.34319000 Y=0.74261000 Z=0.75000000
As         NPT=  781  R0=.000050000 RMT= 2.28        Z:  33.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.00000000 Y=0.27883000 Z=0.09870000
          MULT= 4          ISPLIT= 8
      -6: X=0.00000000 Y=0.72117000 Z=0.90130000
      -6: X=0.00000000 Y=0.27883000 Z=0.40130000
      -6: X=0.00000000 Y=0.72117000 Z=0.59870000
As         NPT=  781  R0=.000050000 RMT= 2.28        Z:  33.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000