B   LATTICE,NONEQUIV.ATOMS   3   82 I-4                                        
MODE OF CALC=RELA unit=bohr                                                    
  8.475422  8.475422 13.039110 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.50000000 Z=0.25000000
          MULT= 1          ISPLIT=-2
Be         NPT=  781  R0=.000100000 RMT= 1.36        Z:   4.00000              
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=0.00000000
          MULT= 1          ISPLIT=-2
S          NPT=  781  R0=.000100000 RMT= 1.41        Z:  16.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.14000000 Y=0.24000000 Z=0.13000000
          MULT= 4          ISPLIT= 8
      -3: X=0.24000000 Y=0.86000000 Z=0.87000000
      -3: X=0.86000000 Y=0.76000000 Z=0.13000000
      -3: X=0.76000000 Y=0.14000000 Z=0.87000000
O          NPT=  781  R0=.000100000 RMT= 1.48        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000