CXY LATTICE,NONEQUIV.ATOMS   8   64 Cmca                                       
MODE OF CALC=RELA unit=bohr                                                    
 29.920034 27.023084 24.473843 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.12535000 Y=0.08991000 Z=0.25011000
          MULT= 8          ISPLIT= 8
      -1: X=0.87465000 Y=0.91009000 Z=0.74989000
      -1: X=0.12535000 Y=0.58991000 Z=0.24989000
      -1: X=0.87465000 Y=0.41009000 Z=0.75011000
      -1: X=0.87465000 Y=0.08991000 Z=0.25011000
      -1: X=0.12535000 Y=0.91009000 Z=0.74989000
      -1: X=0.87465000 Y=0.58991000 Z=0.24989000
      -1: X=0.12535000 Y=0.41009000 Z=0.75011000
I          NPT=  781  R0=.000010000 RMT= 2.50000     Z:  53.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.12574000 Y=0.25726000 Z=0.00643000
          MULT= 8          ISPLIT= 8
      -2: X=0.87426000 Y=0.74274000 Z=0.99357000
      -2: X=0.12574000 Y=0.75726000 Z=0.49357000
      -2: X=0.87426000 Y=0.24274000 Z=0.50643000
      -2: X=0.87426000 Y=0.25726000 Z=0.00643000
      -2: X=0.12574000 Y=0.74274000 Z=0.99357000
      -2: X=0.87426000 Y=0.75726000 Z=0.49357000
      -2: X=0.12574000 Y=0.24274000 Z=0.50643000
I          NPT=  781  R0=.000010000 RMT= 2.50000     Z:  53.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.25000000 Y=0.34880000 Z=0.25000000
          MULT= 4          ISPLIT= 8
      -3: X=0.75000000 Y=0.65120000 Z=0.75000000
      -3: X=0.25000000 Y=0.84880000 Z=0.25000000
      -3: X=0.75000000 Y=0.15120000 Z=0.75000000
I          NPT=  781  R0=.000010000 RMT= 2.50000     Z:  53.00000              
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=0.34190000 Z=0.26180000
          MULT= 4          ISPLIT= 8
      -4: X=0.00000000 Y=0.65810000 Z=0.73820000
      -4: X=0.00000000 Y=0.84190000 Z=0.23820000
      -4: X=0.00000000 Y=0.15810000 Z=0.76180000
I          NPT=  781  R0=.000010000 RMT= 2.50000     Z:  53.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -5: X=0.24730000 Y=0.00000000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -5: X=0.75270000 Y=0.00000000 Z=0.00000000
      -5: X=0.24730000 Y=0.50000000 Z=0.50000000
      -5: X=0.75270000 Y=0.50000000 Z=0.50000000
I          NPT=  781  R0=.000010000 RMT= 2.50000     Z:  53.00000              
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=0.00000000 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -6: X=0.00000000 Y=0.50000000 Z=0.50000000
Cs         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  55.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -7: X=0.10580000 Y=0.43570000 Z=0.10780000
          MULT= 8          ISPLIT= 8
      -7: X=0.89420000 Y=0.56430000 Z=0.89220000
      -7: X=0.10580000 Y=0.93570000 Z=0.39220000
      -7: X=0.89420000 Y=0.06430000 Z=0.60780000
      -7: X=0.89420000 Y=0.43570000 Z=0.10780000
      -7: X=0.10580000 Y=0.56430000 Z=0.89220000
      -7: X=0.89420000 Y=0.93570000 Z=0.39220000
      -7: X=0.10580000 Y=0.06430000 Z=0.60780000
Zr         NPT=  781  R0=.000010000 RMT= 2.50000     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  -8: X=0.00000000 Y=0.13320000 Z=0.40210000
          MULT= 4          ISPLIT= 8
      -8: X=0.00000000 Y=0.86680000 Z=0.59790000
      -8: X=0.00000000 Y=0.63320000 Z=0.09790000
      -8: X=0.00000000 Y=0.36680000 Z=0.90210000
Zr         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  40.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000