B   LATTICE,NONEQUIV.ATOMS   2  220 I-43d                                      
MODE OF CALC=RELA unit=bohr                                                    
 19.936611 19.936611 19.936611 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.37500000 Y=0.00000000 Z=0.25000000
          MULT= 6          ISPLIT=-2
      -1: X=0.25000000 Y=0.37500000 Z=0.00000000
      -1: X=0.62500000 Y=0.50000000 Z=0.25000000
      -1: X=0.25000000 Y=0.62500000 Z=0.50000000
      -1: X=0.00000000 Y=0.25000000 Z=0.37500000
      -1: X=0.00000000 Y=0.75000000 Z=0.12500000
Bi         NPT=  781  R0=.000005000 RMT= 2.50000     Z:  83.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -2: X=0.07300000 Y=0.07300000 Z=0.07300000
          MULT= 8          ISPLIT= 4
      -2: X=0.32300000 Y=0.67700000 Z=0.17700000
      -2: X=0.07300000 Y=0.92700000 Z=0.42700000
      -2: X=0.92700000 Y=0.42700000 Z=0.07300000
      -2: X=0.17700000 Y=0.67700000 Z=0.82300000
      -2: X=0.17700000 Y=0.32300000 Z=0.67700000
      -2: X=0.92700000 Y=0.57300000 Z=0.42700000
      -2: X=0.32300000 Y=0.32300000 Z=0.32300000
Ba         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  56.00000              
LOCAL ROT MATRIX:    0.7071068 0.4082483 0.5773503
                    -0.7071068 0.4082483 0.5773503
                     0.0000000-0.8164966 0.5773503