B   LATTICE,NONEQUIV.ATOMS   3   79 I4                                         
MODE OF CALC=RELA unit=bohr                                                    
 17.011315 17.011315  7.436072 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.00000000 Z=0.07790000
          MULT= 1          ISPLIT=-2
W          NPT=  781  R0=.000005000 RMT= 1.79        Z:  74.00000              
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=0.00000000 Z=0.52900000
          MULT= 1          ISPLIT=-2
O          NPT=  781  R0=.000100000 RMT= 1.54        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.06930000 Y=0.26030000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -3: X=0.73970000 Y=0.06930000 Z=0.00000000
      -3: X=0.93070000 Y=0.73970000 Z=0.00000000
      -3: X=0.26030000 Y=0.93070000 Z=0.00000000
Br         NPT=  781  R0=.000050000 RMT= 2.24        Z:  35.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000