CXY LATTICE,NONEQUIV.ATOMS   7   64 Cmca                                       
MODE OF CALC=RELA unit=bohr                                                    
 25.499964 23.152925 20.822892 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.10980000 Y=0.06390000 Z=0.11350000
          MULT= 8          ISPLIT= 8
      -1: X=0.89020000 Y=0.93610000 Z=0.88650000
      -1: X=0.10980000 Y=0.56390000 Z=0.38650000
      -1: X=0.89020000 Y=0.43610000 Z=0.61350000
      -1: X=0.89020000 Y=0.06390000 Z=0.11350000
      -1: X=0.10980000 Y=0.93610000 Z=0.88650000
      -1: X=0.89020000 Y=0.56390000 Z=0.38650000
      -1: X=0.10980000 Y=0.43610000 Z=0.61350000
Nb         NPT=  781  R0=.000010000 RMT= 2.32        Z:  41.00000              
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=0.36200000 Z=0.40280000
          MULT= 4          ISPLIT= 8
      -2: X=0.00000000 Y=0.63800000 Z=0.59720000
      -2: X=0.00000000 Y=0.86200000 Z=0.09720000
      -2: X=0.00000000 Y=0.13800000 Z=0.90280000
Nb         NPT=  781  R0=.000010000 RMT= 2.32        Z:  41.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -3: X=0.25000000 Y=0.00000000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -3: X=0.75000000 Y=0.00000000 Z=0.00000000
      -3: X=0.25000000 Y=0.50000000 Z=0.50000000
      -3: X=0.75000000 Y=0.50000000 Z=0.50000000
Cl         NPT=  781  R0=.000100000 RMT= 2.10        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  -4: X=0.00000000 Y=0.14900000 Z=0.26600000
          MULT= 4          ISPLIT= 8
      -4: X=0.00000000 Y=0.85100000 Z=0.73400000
      -4: X=0.00000000 Y=0.64900000 Z=0.23400000
      -4: X=0.00000000 Y=0.35100000 Z=0.76600000
Cl         NPT=  781  R0=.000100000 RMT= 2.10        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  -5: X=0.12400000 Y=0.40000000 Z=0.25900000
          MULT= 8          ISPLIT= 8
      -5: X=0.87600000 Y=0.60000000 Z=0.74100000
      -5: X=0.12400000 Y=0.90000000 Z=0.24100000
      -5: X=0.87600000 Y=0.10000000 Z=0.75900000
      -5: X=0.87600000 Y=0.40000000 Z=0.25900000
      -5: X=0.12400000 Y=0.60000000 Z=0.74100000
      -5: X=0.87600000 Y=0.90000000 Z=0.24100000
      -5: X=0.12400000 Y=0.10000000 Z=0.75900000
Cl         NPT=  781  R0=.000100000 RMT= 2.10        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  -6: X=0.12400000 Y=0.23900000 Z=0.01300000
          MULT= 8          ISPLIT= 8
      -6: X=0.87600000 Y=0.76100000 Z=0.98700000
      -6: X=0.12400000 Y=0.73900000 Z=0.48700000
      -6: X=0.87600000 Y=0.26100000 Z=0.51300000
      -6: X=0.87600000 Y=0.23900000 Z=0.01300000
      -6: X=0.12400000 Y=0.76100000 Z=0.98700000
      -6: X=0.87600000 Y=0.73900000 Z=0.48700000
      -6: X=0.12400000 Y=0.26100000 Z=0.51300000
Cl         NPT=  781  R0=.000100000 RMT= 2.10        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  -7: X=0.25000000 Y=0.13800000 Z=0.25000000
          MULT= 4          ISPLIT= 8
      -7: X=0.75000000 Y=0.86200000 Z=0.75000000
      -7: X=0.25000000 Y=0.63800000 Z=0.25000000
      -7: X=0.75000000 Y=0.36200000 Z=0.75000000
Cl         NPT=  781  R0=.000100000 RMT= 2.10        Z:  17.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000