B   LATTICE,NONEQUIV.ATOMS   1  140 I4/mcm                                     
MODE OF CALC=RELA unit=bohr                                                    
 14.267432 14.267432  6.498768 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.15100000 Y=0.65100000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -1: X=0.84900000 Y=0.34900000 Z=0.00000000
      -1: X=0.34900000 Y=0.15100000 Z=0.00000000
      -1: X=0.65100000 Y=0.84900000 Z=0.00000000
Sc         NPT=  781  R0=.000050000 RMT= 2.50000     Z:  21.00000              
LOCAL ROT MATRIX:    0.0000000-0.7071068 0.7071068
                     0.0000000 0.7071068 0.7071068
                    -1.0000000 0.0000000 0.0000000