B   LATTICE,NONEQUIV.ATOMS   2  140 I4/mcm                                     
MODE OF CALC=RELA unit=bohr                                                    
 12.145270 12.145270 14.555616 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.00000000 Z=0.25000000
          MULT= 2          ISPLIT=-2
      -1: X=0.00000000 Y=0.00000000 Z=0.75000000
Pb         NPT=  781  R0=.000005000 RMT= 2.50000     Z:  82.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.12790000 Y=0.62790000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -2: X=0.87210000 Y=0.37210000 Z=0.00000000
      -2: X=0.37210000 Y=0.12790000 Z=0.00000000
      -2: X=0.62790000 Y=0.87210000 Z=0.00000000
Se         NPT=  781  R0=.000050000 RMT= 2.18        Z:  34.00000              
LOCAL ROT MATRIX:    0.0000000-0.7071068 0.7071068
                     0.0000000 0.7071068 0.7071068
                    -1.0000000 0.0000000 0.0000000