CXY LATTICE,NONEQUIV.ATOMS   4   67 Cmma                                       
MODE OF CALC=RELA unit=bohr                                                    
 14.514986 21.461620 10.414281 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.25000000 Z=0.44160000
          MULT= 2          ISPLIT= 8
      -1: X=0.00000000 Y=0.75000000 Z=0.55840000
Ba         NPT=  781  R0=.000010000 RMT= 2.37        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=0.25000000 Y=0.00000000 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -2: X=0.75000000 Y=0.00000000 Z=0.00000000
Zr         NPT=  781  R0=.000010000 RMT= 1.93        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  -3: X=0.00000000 Y=0.07000000 Z=0.15300000
          MULT= 4          ISPLIT= 8
      -3: X=0.00000000 Y=0.93000000 Z=0.84700000
      -3: X=0.00000000 Y=0.57000000 Z=0.84700000
      -3: X=0.00000000 Y=0.43000000 Z=0.15300000
F          NPT=  781  R0=.000100000 RMT= 1.84        Z:   9.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -4: X=0.30200000 Y=0.12500000 Z=0.24700000
          MULT= 8          ISPLIT= 8
      -4: X=0.69800000 Y=0.87500000 Z=0.75300000
      -4: X=0.30200000 Y=0.62500000 Z=0.75300000
      -4: X=0.69800000 Y=0.37500000 Z=0.24700000
      -4: X=0.69800000 Y=0.12500000 Z=0.24700000
      -4: X=0.30200000 Y=0.87500000 Z=0.75300000
      -4: X=0.69800000 Y=0.62500000 Z=0.75300000
      -4: X=0.30200000 Y=0.37500000 Z=0.24700000
F          NPT=  781  R0=.000100000 RMT= 1.84        Z:   9.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000