CXY LATTICE,NONEQUIV.ATOMS   8   64 Cmca                                       
MODE OF CALC=RELA unit=bohr                                                    
 26.915369 23.886138 21.818778 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.11560000 Y=0.07150000 Z=0.11730000
          MULT= 8          ISPLIT= 8
      -1: X=0.88440000 Y=0.92850000 Z=0.88270000
      -1: X=0.11560000 Y=0.57150000 Z=0.38270000
      -1: X=0.88440000 Y=0.42850000 Z=0.61730000
      -1: X=0.88440000 Y=0.07150000 Z=0.11730000
      -1: X=0.11560000 Y=0.92850000 Z=0.88270000
      -1: X=0.88440000 Y=0.57150000 Z=0.38270000
      -1: X=0.11560000 Y=0.42850000 Z=0.61730000
Zr         NPT=  781  R0=.000010000 RMT= 2.41        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=0.35020000 Z=0.39050000
          MULT= 4          ISPLIT= 8
      -2: X=0.00000000 Y=0.64980000 Z=0.60950000
      -2: X=0.00000000 Y=0.85020000 Z=0.10950000
      -2: X=0.00000000 Y=0.14980000 Z=0.89050000
Zr         NPT=  781  R0=.000010000 RMT= 2.41        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=0.12400000 Y=0.41190000 Z=0.24860000
          MULT= 8          ISPLIT= 8
      -3: X=0.87600000 Y=0.58810000 Z=0.75140000
      -3: X=0.12400000 Y=0.91190000 Z=0.25140000
      -3: X=0.87600000 Y=0.08810000 Z=0.74860000
      -3: X=0.87600000 Y=0.41190000 Z=0.24860000
      -3: X=0.12400000 Y=0.58810000 Z=0.75140000
      -3: X=0.87600000 Y=0.91190000 Z=0.25140000
      -3: X=0.12400000 Y=0.08810000 Z=0.74860000
Cl         NPT=  781  R0=.000100000 RMT= 2.25        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=0.12520000 Y=0.24530000 Z=0.00690000
          MULT= 8          ISPLIT= 8
      -4: X=0.87480000 Y=0.75470000 Z=0.99310000
      -4: X=0.12520000 Y=0.74530000 Z=0.49310000
      -4: X=0.87480000 Y=0.25470000 Z=0.50690000
      -4: X=0.87480000 Y=0.24530000 Z=0.00690000
      -4: X=0.12520000 Y=0.75470000 Z=0.99310000
      -4: X=0.87480000 Y=0.74530000 Z=0.49310000
      -4: X=0.12520000 Y=0.25470000 Z=0.50690000
Cl         NPT=  781  R0=.000100000 RMT= 2.25        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=0.15690000 Z=0.25000000
          MULT= 4          ISPLIT= 8
      -5: X=0.75000000 Y=0.84310000 Z=0.75000000
      -5: X=0.25000000 Y=0.65690000 Z=0.25000000
      -5: X=0.75000000 Y=0.34310000 Z=0.75000000
Cl         NPT=  781  R0=.000100000 RMT= 2.25        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=0.15920000 Z=0.26230000
          MULT= 4          ISPLIT= 8
      -6: X=0.00000000 Y=0.84080000 Z=0.73770000
      -6: X=0.00000000 Y=0.65920000 Z=0.23770000
      -6: X=0.00000000 Y=0.34080000 Z=0.76230000
Cl         NPT=  781  R0=.000100000 RMT= 2.25        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=0.25090000 Y=0.00000000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -7: X=0.74910000 Y=0.00000000 Z=0.00000000
      -7: X=0.25090000 Y=0.50000000 Z=0.50000000
      -7: X=0.74910000 Y=0.50000000 Z=0.50000000
Cl         NPT=  781  R0=.000100000 RMT= 2.25        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
B          NPT=  781  R0=.000100000 RMT= 1.87        Z:   5.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000