CXY LATTICE,NONEQUIV.ATOMS   4   66 Cccm                                       
MODE OF CALC=RELA unit=bohr                                                    
 12.736754 21.960507 21.985074 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=0.50170000 Y=0.23870000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -2: X=0.49830000 Y=0.76130000 Z=0.00000000
      -2: X=0.49830000 Y=0.23870000 Z=0.50000000
      -2: X=0.50170000 Y=0.76130000 Z=0.50000000
In         NPT=  781  R0=.000010000 RMT= 2.49        Z:  49.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.23460000 Y=0.07180000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -3: X=0.76540000 Y=0.92820000 Z=0.00000000
      -3: X=0.76540000 Y=0.07180000 Z=0.50000000
      -3: X=0.23460000 Y=0.92820000 Z=0.50000000
Te         NPT=  781  R0=.000010000 RMT= 2.49        Z:  52.00000              
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=0.32160000
          MULT= 4          ISPLIT= 8
      -4: X=0.75000000 Y=0.75000000 Z=0.67840000
      -4: X=0.75000000 Y=0.25000000 Z=0.82160000
      -4: X=0.25000000 Y=0.75000000 Z=0.17840000
Te         NPT=  781  R0=.000010000 RMT= 2.49        Z:  52.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000