B   LATTICE,NONEQUIV.ATOMS   3   82 I-4                                        
MODE OF CALC=RELA unit=bohr                                                    
 10.625930 10.625930 17.117139 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.50000000 Z=0.25000000
          MULT= 1          ISPLIT=-2
In         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  49.00000              
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
P          NPT=  781  R0=.000100000 RMT= 1.87        Z:  15.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.23890000 Y=0.19430000 Z=0.11980000
          MULT= 4          ISPLIT= 8
      -3: X=0.19430000 Y=0.76110000 Z=0.88020000
      -3: X=0.76110000 Y=0.80570000 Z=0.11980000
      -3: X=0.80570000 Y=0.23890000 Z=0.88020000
S          NPT=  781  R0=.000100000 RMT= 1.97        Z:  16.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000