CXY LATTICE,NONEQUIV.ATOMS   4   66 Cccm                                       
MODE OF CALC=RELA unit=bohr                                                    
 12.245425 21.032652 21.240522 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.00000000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -1: X=0.00000000 Y=0.00000000 Z=0.75000000
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=0.00920000 Y=0.25710000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -2: X=0.99080000 Y=0.74290000 Z=0.00000000
      -2: X=0.99080000 Y=0.25710000 Z=0.50000000
      -2: X=0.00920000 Y=0.74290000 Z=0.50000000
Ga         NPT=  781  R0=.000050000 RMT= 2.24        Z:  31.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.23030000 Y=0.08560000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -3: X=0.76970000 Y=0.91440000 Z=0.00000000
      -3: X=0.76970000 Y=0.08560000 Z=0.50000000
      -3: X=0.23030000 Y=0.91440000 Z=0.50000000
Se         NPT=  781  R0=.000050000 RMT= 2.24        Z:  34.00000              
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=0.33750000
          MULT= 4          ISPLIT= 8
      -4: X=0.75000000 Y=0.75000000 Z=0.66250000
      -4: X=0.75000000 Y=0.25000000 Z=0.83750000
      -4: X=0.25000000 Y=0.75000000 Z=0.16250000
Se         NPT=  781  R0=.000050000 RMT= 2.24        Z:  34.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000