B   LATTICE,NONEQUIV.ATOMS   1  140 I4/mcm                                     
MODE OF CALC=RELA unit=bohr                                                    
 15.911494 15.911494  8.957302 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.14860000 Y=0.64860000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -1: X=0.85140000 Y=0.35140000 Z=0.00000000
      -1: X=0.35140000 Y=0.14860000 Z=0.00000000
      -1: X=0.64860000 Y=0.85140000 Z=0.00000000
Ba         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  56.00000              
LOCAL ROT MATRIX:    0.0000000-0.7071068 0.7071068
                     0.0000000 0.7071068 0.7071068
                    -1.0000000 0.0000000 0.0000000