CXY LATTICE,NONEQUIV.ATOMS   5   63 Cmcm                                       
MODE OF CALC=RELA unit=bohr                                                    
 12.434398 21.542878 13.114699 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.55200000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -1: X=0.00000000 Y=0.44800000 Z=0.75000000
Zr         NPT=  781  R0=.000010000 RMT= 2.04        Z:  40.00000              
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=0.15400000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -2: X=0.00000000 Y=0.84600000 Z=0.00000000
      -2: X=0.00000000 Y=0.15400000 Z=0.50000000
      -2: X=0.00000000 Y=0.84600000 Z=0.50000000
K          NPT=  781  R0=.000050000 RMT= 2.46        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  -3: X=0.19000000 Y=0.00000000 Z=0.25000000
          MULT= 4          ISPLIT= 8
      -3: X=0.81000000 Y=0.00000000 Z=0.75000000
      -3: X=0.81000000 Y=0.00000000 Z=0.25000000
      -3: X=0.19000000 Y=0.00000000 Z=0.75000000
F          NPT=  781  R0=.000100000 RMT= 1.95        Z:   9.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.30800000 Y=0.20500000 Z=0.25000000
          MULT= 4          ISPLIT= 8
      -4: X=0.69200000 Y=0.79500000 Z=0.75000000
      -4: X=0.69200000 Y=0.20500000 Z=0.25000000
      -4: X=0.30800000 Y=0.79500000 Z=0.75000000
F          NPT=  781  R0=.000100000 RMT= 1.95        Z:   9.00000              
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=0.39700000 Z=0.06500000
          MULT= 4          ISPLIT= 8
      -5: X=0.00000000 Y=0.60300000 Z=0.93500000
      -5: X=0.00000000 Y=0.39700000 Z=0.43500000
      -5: X=0.00000000 Y=0.60300000 Z=0.56500000
F          NPT=  781  R0=.000100000 RMT= 1.95        Z:   9.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000