CXY LATTICE,NONEQUIV.ATOMS   7   66 Cccm                                       
MODE OF CALC=RELA unit=bohr                                                    
 13.359797 48.173466 13.278917 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.25000000 Y=0.75000000 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -1: X=0.75000000 Y=0.75000000 Z=0.50000000
Ba         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  56.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.25400000 Y=0.56820000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -2: X=0.74600000 Y=0.43180000 Z=0.00000000
      -2: X=0.74600000 Y=0.56820000 Z=0.50000000
      -2: X=0.25400000 Y=0.43180000 Z=0.50000000
Ba         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  56.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.26100000 Y=0.15900000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -3: X=0.73900000 Y=0.84100000 Z=0.00000000
      -3: X=0.73900000 Y=0.15900000 Z=0.50000000
      -3: X=0.26100000 Y=0.84100000 Z=0.50000000
Zr         NPT=  781  R0=.000010000 RMT= 2.34        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  -4: X=0.25000000 Y=0.25000000 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -4: X=0.75000000 Y=0.25000000 Z=0.50000000
S          NPT=  781  R0=.000100000 RMT= 2.02        Z:  16.00000              
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=0.15900000 Z=0.25000000
          MULT= 4          ISPLIT= 8
      -5: X=0.00000000 Y=0.84100000 Z=0.75000000
      -5: X=0.00000000 Y=0.15900000 Z=0.75000000
      -5: X=0.00000000 Y=0.84100000 Z=0.25000000
S          NPT=  781  R0=.000100000 RMT= 2.02        Z:  16.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -6: X=0.21900000 Y=0.05200000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -6: X=0.78100000 Y=0.94800000 Z=0.00000000
      -6: X=0.78100000 Y=0.05200000 Z=0.50000000
      -6: X=0.21900000 Y=0.94800000 Z=0.50000000
S          NPT=  781  R0=.000100000 RMT= 2.02        Z:  16.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -7: X=0.00000000 Y=0.35000000 Z=0.25000000
          MULT= 4          ISPLIT= 8
      -7: X=0.00000000 Y=0.65000000 Z=0.75000000
      -7: X=0.00000000 Y=0.35000000 Z=0.75000000
      -7: X=0.00000000 Y=0.65000000 Z=0.25000000
S          NPT=  781  R0=.000100000 RMT= 2.02        Z:  16.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000