CXY LATTICE,NONEQUIV.ATOMS   4   64 Cmca                                       
MODE OF CALC=RELA unit=bohr                                                    
 33.540749 17.047219 17.119029 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.14613000 Y=0.32997000 Z=0.16594000
          MULT= 8          ISPLIT= 8
      -1: X=0.85387000 Y=0.67003000 Z=0.83406000
      -1: X=0.14613000 Y=0.82997000 Z=0.33406000
      -1: X=0.85387000 Y=0.17003000 Z=0.66594000
      -1: X=0.85387000 Y=0.32997000 Z=0.16594000
      -1: X=0.14613000 Y=0.67003000 Z=0.83406000
      -1: X=0.85387000 Y=0.82997000 Z=0.33406000
      -1: X=0.14613000 Y=0.17003000 Z=0.66594000
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=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -2: X=0.00000000 Y=0.50000000 Z=0.50000000
Ba         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  56.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -3: X=0.19849000 Y=0.00000000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -3: X=0.80151000 Y=0.00000000 Z=0.00000000
      -3: X=0.19849000 Y=0.50000000 Z=0.50000000
      -3: X=0.80151000 Y=0.50000000 Z=0.50000000
Sb         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  51.00000              
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=0.11275000 Z=0.38701000
          MULT= 4          ISPLIT= 8
      -4: X=0.00000000 Y=0.88725000 Z=0.61299000
      -4: X=0.00000000 Y=0.61275000 Z=0.11299000
      -4: X=0.00000000 Y=0.38725000 Z=0.88701000
Sb         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  51.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000