B   LATTICE,NONEQUIV.ATOMS   2  141 I41/amd 
MODE OF CALC=RELA unit=bohr
 16.862026 16.862026 14.966631 90.000000 90.000000 90.000000
ATOM  -1: X=0.00000000 Y=0.75000000 Z=0.12500000
          MULT= 2          ISPLIT=15
      -1: X=0.00000000 Y=0.25000000 Z=0.87500000
Th         NPT=  781  R0=.000005000 RMT=   2.00000   Z:  90.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.00000000 Y=0.06400000 Z=0.20200000
          MULT= 8          ISPLIT=15
      -2: X=0.00000000 Y=0.93600000 Z=0.79800000
      -2: X=0.18600000 Y=0.75000000 Z=0.45200000
      -2: X=0.31400000 Y=0.75000000 Z=0.04800000
      -2: X=0.00000000 Y=0.43600000 Z=0.20200000
      -2: X=0.00000000 Y=0.56400000 Z=0.79800000
      -2: X=0.31400000 Y=0.25000000 Z=0.95200000
      -2: X=0.18600000 Y=0.25000000 Z=0.54800000
Br         NPT=  781  R0=.000050000 RMT=   2.00000   Z:  35.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000