B   LATTICE,NONEQUIV.ATOMS   3  141 I41/amd                                    
MODE OF CALC=RELA unit=bohr                                                    
 10.867815 10.867815 28.007631 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.75000000 Z=0.12500000
          MULT= 2          ISPLIT=-2
      -1: X=0.00000000 Y=0.25000000 Z=0.87500000
Cs         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  55.00000              
LOCAL ROT MATRIX:    0.7071068-0.7071068 0.0000000
                     0.7071068 0.7071068 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.00000000 Y=0.25000000 Z=0.37500000
          MULT= 2          ISPLIT=-2
      -2: X=0.00000000 Y=0.75000000 Z=0.62500000
Br         NPT=  781  R0=.000050000 RMT= 1.58        Z:  35.00000              
LOCAL ROT MATRIX:    0.7071068-0.7071068 0.0000000
                     0.7071068 0.7071068 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.00000000 Y=0.01960000 Z=0.31410000
          MULT= 8          ISPLIT= 8
      -3: X=0.00000000 Y=0.98040000 Z=0.68590000
      -3: X=0.23040000 Y=0.75000000 Z=0.56410000
      -3: X=0.26960000 Y=0.75000000 Z=0.93590000
      -3: X=0.00000000 Y=0.48040000 Z=0.31410000
      -3: X=0.00000000 Y=0.51960000 Z=0.68590000
      -3: X=0.26960000 Y=0.25000000 Z=0.06410000
      -3: X=0.23040000 Y=0.25000000 Z=0.43590000
O          NPT=  781  R0=.000100000 RMT= 1.43        Z:   8.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000