B   LATTICE,NONEQUIV.ATOMS   3   79 I4                                         
MODE OF CALC=RELA unit=bohr                                                    
 16.021098 16.021098  7.502213 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 1          ISPLIT=-2
W          NPT=  781  R0=.000005000 RMT= 1.76        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=0.06650000 Y=0.25740000 Z=0.08470000
          MULT= 4          ISPLIT= 8
      -2: X=0.74260000 Y=0.06650000 Z=0.08470000
      -2: X=0.93350000 Y=0.74260000 Z=0.08470000
      -2: X=0.25740000 Y=0.93350000 Z=0.08470000
Cl         NPT=  781  R0=.000100000 RMT= 1.98        Z:  17.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.00000000 Y=0.00000000 Z=0.56200000
          MULT= 1          ISPLIT=-2
O          NPT=  781  R0=.000100000 RMT= 1.51        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000