CXY LATTICE,NONEQUIV.ATOMS   4   64 Cmca                                       
MODE OF CALC=RELA unit=bohr                                                    
 21.403038 14.472846 19.492525 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -1: 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  -2: X=0.20992000 Y=0.31454000 Z=0.09412000
          MULT= 8          ISPLIT= 8
      -2: X=0.79008000 Y=0.68546000 Z=0.90588000
      -2: X=0.20992000 Y=0.81454000 Z=0.40588000
      -2: X=0.79008000 Y=0.18546000 Z=0.59412000
      -2: X=0.79008000 Y=0.31454000 Z=0.09412000
      -2: X=0.20992000 Y=0.68546000 Z=0.90588000
      -2: X=0.79008000 Y=0.81454000 Z=0.40588000
      -2: X=0.20992000 Y=0.18546000 Z=0.59412000
Se         NPT=  781  R0=.000050000 RMT= 2.15        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  -3: X=0.00000000 Y=0.10117000 Z=0.36146000
          MULT= 4          ISPLIT= 8
      -3: X=0.00000000 Y=0.89883000 Z=0.63854000
      -3: X=0.00000000 Y=0.60117000 Z=0.13854000
      -3: X=0.00000000 Y=0.39883000 Z=0.86146000
Se         NPT=  781  R0=.000050000 RMT= 2.15        Z:  34.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -4: X=0.38650000 Y=0.00000000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -4: X=0.61350000 Y=0.00000000 Z=0.00000000
      -4: X=0.38650000 Y=0.50000000 Z=0.50000000
      -4: X=0.61350000 Y=0.50000000 Z=0.50000000
B          NPT=  781  R0=.000100000 RMT= 1.67        Z:   5.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000