B   LATTICE,NONEQUIV.ATOMS   3  199 I213                                       
MODE OF CALC=RELA unit=bohr                                                    
 15.703057 15.703057 15.703057 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00372000 Y=0.00372000 Z=0.00372000
          MULT= 4          ISPLIT= 4
      -1: X=0.99628000 Y=0.49628000 Z=0.00372000
      -1: X=0.00372000 Y=0.99628000 Z=0.49628000
      -1: X=0.99628000 Y=0.50372000 Z=0.49628000
Bi         NPT=  781  R0=.000005000 RMT= 2.50000     Z:  83.00000              
LOCAL ROT MATRIX:    0.7071068 0.4082483 0.5773503
                    -0.7071068 0.4082483 0.5773503
                     0.0000000-0.8164966 0.5773503
ATOM  -2: X=0.27662000 Y=0.00000000 Z=0.25000000
          MULT= 6          ISPLIT= 8
      -2: X=0.72338000 Y=0.50000000 Z=0.25000000
      -2: X=0.25000000 Y=0.27662000 Z=0.00000000
      -2: X=0.75000000 Y=0.22338000 Z=0.00000000
      -2: X=0.00000000 Y=0.25000000 Z=0.27662000
      -2: X=0.00000000 Y=0.75000000 Z=0.22338000
Pd         NPT=  781  R0=.000010000 RMT= 2.42        Z:  46.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -3: X=0.28000000 Y=0.28000000 Z=0.28000000
          MULT= 4          ISPLIT= 4
      -3: X=0.72000000 Y=0.22000000 Z=0.28000000
      -3: X=0.28000000 Y=0.72000000 Z=0.22000000
      -3: X=0.72000000 Y=0.78000000 Z=0.22000000
S          NPT=  781  R0=.000100000 RMT= 1.98        Z:  16.00000              
LOCAL ROT MATRIX:    0.7071068 0.4082483 0.5773503
                    -0.7071068 0.4082483 0.5773503
                     0.0000000-0.8164966 0.5773503