CXY LATTICE,NONEQUIV.ATOMS   8   64 Cmca                                       
MODE OF CALC=RELA unit=bohr                                                    
 26.628131 23.801101 21.743189 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.11714000 Y=0.07095000 Z=0.11740000
          MULT= 8          ISPLIT= 8
      -1: X=0.88286000 Y=0.92905000 Z=0.88260000
      -1: X=0.11714000 Y=0.57095000 Z=0.38260000
      -1: X=0.88286000 Y=0.42905000 Z=0.61740000
      -1: X=0.88286000 Y=0.07095000 Z=0.11740000
      -1: X=0.11714000 Y=0.92905000 Z=0.88260000
      -1: X=0.88286000 Y=0.57095000 Z=0.38260000
      -1: X=0.11714000 Y=0.42905000 Z=0.61740000
Zr         NPT=  781  R0=.000010000 RMT= 2.32        Z:  40.00000              
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=0.35070000 Z=0.39260000
          MULT= 4          ISPLIT= 8
      -2: X=0.00000000 Y=0.64930000 Z=0.60740000
      -2: X=0.00000000 Y=0.85070000 Z=0.10740000
      -2: X=0.00000000 Y=0.14930000 Z=0.89260000
Zr         NPT=  781  R0=.000010000 RMT= 2.32        Z:  40.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -3: X=0.12420000 Y=0.41240000 Z=0.24970000
          MULT= 8          ISPLIT= 8
      -3: X=0.87580000 Y=0.58760000 Z=0.75030000
      -3: X=0.12420000 Y=0.91240000 Z=0.25030000
      -3: X=0.87580000 Y=0.08760000 Z=0.74970000
      -3: X=0.87580000 Y=0.41240000 Z=0.24970000
      -3: X=0.12420000 Y=0.58760000 Z=0.75030000
      -3: X=0.87580000 Y=0.91240000 Z=0.25030000
      -3: X=0.12420000 Y=0.08760000 Z=0.74970000
Cl         NPT=  781  R0=.000100000 RMT= 2.23        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  -4: X=0.12400000 Y=0.24490000 Z=0.00830000
          MULT= 8          ISPLIT= 8
      -4: X=0.87600000 Y=0.75510000 Z=0.99170000
      -4: X=0.12400000 Y=0.74490000 Z=0.49170000
      -4: X=0.87600000 Y=0.25510000 Z=0.50830000
      -4: X=0.87600000 Y=0.24490000 Z=0.00830000
      -4: X=0.12400000 Y=0.75510000 Z=0.99170000
      -4: X=0.87600000 Y=0.74490000 Z=0.49170000
      -4: X=0.12400000 Y=0.25510000 Z=0.50830000
Cl         NPT=  781  R0=.000100000 RMT= 2.23        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  -5: X=0.25000000 Y=0.15520000 Z=0.25000000
          MULT= 4          ISPLIT= 8
      -5: X=0.75000000 Y=0.84480000 Z=0.75000000
      -5: X=0.25000000 Y=0.65520000 Z=0.25000000
      -5: X=0.75000000 Y=0.34480000 Z=0.75000000
Cl         NPT=  781  R0=.000100000 RMT= 2.23        Z:  17.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -6: X=0.00000000 Y=0.15820000 Z=0.26290000
          MULT= 4          ISPLIT= 8
      -6: X=0.00000000 Y=0.84180000 Z=0.73710000
      -6: X=0.00000000 Y=0.65820000 Z=0.23710000
      -6: X=0.00000000 Y=0.34180000 Z=0.76290000
Cl         NPT=  781  R0=.000100000 RMT= 2.23        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  -7: X=0.25260000 Y=0.00000000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -7: X=0.74740000 Y=0.00000000 Z=0.00000000
      -7: X=0.25260000 Y=0.50000000 Z=0.50000000
      -7: X=0.74740000 Y=0.50000000 Z=0.50000000
Cl         NPT=  781  R0=.000100000 RMT= 2.23        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  -8: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -8: X=0.00000000 Y=0.50000000 Z=0.50000000
C          NPT=  781  R0=.000100000 RMT= 1.90        Z:   6.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000