CXY LATTICE,NONEQUIV.ATOMS   3   67 Cmma                                       
MODE OF CALC=RELA unit=bohr                                                    
 12.454618 28.963832 13.111865 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.08701000 Z=0.19869000
          MULT= 4          ISPLIT= 8
      -1: X=0.00000000 Y=0.91299000 Z=0.80131000
      -1: X=0.00000000 Y=0.58701000 Z=0.80131000
      -1: X=0.00000000 Y=0.41299000 Z=0.19869000
Ba         NPT=  781  R0=.000010000 RMT= 2.37        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=0.00000000 Y=0.25000000 Z=0.68890000
          MULT= 2          ISPLIT= 8
      -2: X=0.00000000 Y=0.75000000 Z=0.31110000
Na         NPT=  781  R0=.000100000 RMT= 2.50000     Z:  11.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.25000000 Y=0.00000000 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -3: X=0.75000000 Y=0.00000000 Z=0.00000000
O          NPT=  781  R0=.000100000 RMT= 2.37        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000