CXY LATTICE,NONEQUIV.ATOMS   5   64 Cmca                                       
MODE OF CALC=RELA unit=bohr                                                    
 39.935582 13.594690 26.586557 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.18460000 Z=0.35160000
          MULT= 4          ISPLIT= 8
      -1: X=0.00000000 Y=0.81540000 Z=0.64840000
      -1: X=0.00000000 Y=0.68460000 Z=0.14840000
      -1: X=0.00000000 Y=0.31540000 Z=0.85160000
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  -2: X=0.17440000 Y=0.30600000 Z=0.12930000
          MULT= 8          ISPLIT= 8
      -2: X=0.82560000 Y=0.69400000 Z=0.87070000
      -2: X=0.17440000 Y=0.80600000 Z=0.37070000
      -2: X=0.82560000 Y=0.19400000 Z=0.62930000
      -2: X=0.82560000 Y=0.30600000 Z=0.12930000
      -2: X=0.17440000 Y=0.69400000 Z=0.87070000
      -2: X=0.82560000 Y=0.80600000 Z=0.37070000
      -2: X=0.17440000 Y=0.19400000 Z=0.62930000
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  -3: X=0.00000000 Y=0.20490000 Z=0.10100000
          MULT= 4          ISPLIT= 8
      -3: X=0.00000000 Y=0.79510000 Z=0.89900000
      -3: X=0.00000000 Y=0.70490000 Z=0.39900000
      -3: X=0.00000000 Y=0.29510000 Z=0.60100000
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=0.34120000 Y=0.30000000 Z=0.11980000
          MULT= 8          ISPLIT= 8
      -4: X=0.65880000 Y=0.70000000 Z=0.88020000
      -4: X=0.34120000 Y=0.80000000 Z=0.38020000
      -4: X=0.65880000 Y=0.20000000 Z=0.61980000
      -4: X=0.65880000 Y=0.30000000 Z=0.11980000
      -4: X=0.34120000 Y=0.70000000 Z=0.88020000
      -4: X=0.65880000 Y=0.80000000 Z=0.38020000
      -4: X=0.34120000 Y=0.20000000 Z=0.61980000
Sb         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  51.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.08500000 Y=0.00000000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -5: X=0.91500000 Y=0.00000000 Z=0.00000000
      -5: X=0.08500000 Y=0.50000000 Z=0.50000000
      -5: X=0.91500000 Y=0.50000000 Z=0.50000000
Al         NPT=  781  R0=.000100000 RMT= 2.35        Z:  13.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000