B   LATTICE,NONEQUIV.ATOMS   3   72 Ibam                                       
MODE OF CALC=RELA unit=bohr                                                    
 13.689932 24.524866 12.423627 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.18796000 Y=0.09841000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -1: X=0.81204000 Y=0.90159000 Z=0.00000000
      -1: X=0.81204000 Y=0.09841000 Z=0.50000000
      -1: X=0.18796000 Y=0.90159000 Z=0.50000000
Ba         NPT=  781  R0=.000010000 RMT= 2.34        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=0.15100000 Y=0.35262000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -2: X=0.84900000 Y=0.64738000 Z=0.00000000
      -2: X=0.84900000 Y=0.35262000 Z=0.50000000
      -2: X=0.15100000 Y=0.64738000 Z=0.50000000
Br         NPT=  781  R0=.000050000 RMT= 2.50000     Z:  35.00000              
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=0.00000000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -3: X=0.00000000 Y=0.00000000 Z=0.75000000
O          NPT=  781  R0=.000100000 RMT= 2.34        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000