CXY LATTICE,NONEQUIV.ATOMS   3   63 Cmcm                                       
MODE OF CALC=RELA unit=bohr                                                    
  8.008659 20.579118 19.097572 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.42240000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -1: X=0.00000000 Y=0.57760000 Z=0.75000000
Ba         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  56.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -2: X=0.00000000 Y=0.11120000 Z=0.03260000
          MULT= 4          ISPLIT= 8
      -2: X=0.00000000 Y=0.88880000 Z=0.96740000
      -2: X=0.00000000 Y=0.11120000 Z=0.46740000
      -2: X=0.00000000 Y=0.88880000 Z=0.53260000
Al         NPT=  781  R0=.000100000 RMT= 2.36        Z:  13.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -3: X=0.00000000 Y=0.29420000 Z=0.62440000
          MULT= 4          ISPLIT= 8
      -3: X=0.00000000 Y=0.70580000 Z=0.37560000
      -3: X=0.00000000 Y=0.29420000 Z=0.87560000
      -3: X=0.00000000 Y=0.70580000 Z=0.12440000
Si         NPT=  781  R0=.000100000 RMT= 2.20        Z:  14.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000