B   LATTICE,NONEQUIV.ATOMS   6   82 I-4                                        
MODE OF CALC=RELA unit=bohr                                                    
  9.649509  9.649509 19.888990 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.50000000 Z=0.75000000
          MULT= 1          ISPLIT=-2
Li         NPT=  781  R0=.000100000 RMT= 1.56        Z:   3.00000              
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
Li         NPT=  781  R0=.000100000 RMT= 1.56        Z:   3.00000              
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=0.50000000
          MULT= 1          ISPLIT=-2
Ca         NPT=  781  R0=.000050000 RMT= 2.11        Z:  20.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.00000000 Y=0.50000000 Z=0.25000000
          MULT= 1          ISPLIT=-2
Hf         NPT=  781  R0=.000005000 RMT= 2.04        Z:  72.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.21140000 Y=0.18680000 Z=0.32040000
          MULT= 4          ISPLIT= 8
      -5: X=0.18680000 Y=0.78860000 Z=0.67960000
      -5: X=0.78860000 Y=0.81320000 Z=0.32040000
      -5: X=0.81320000 Y=0.21140000 Z=0.67960000
F          NPT=  781  R0=.000100000 RMT= 1.84        Z:   9.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.14680000 Y=0.28770000 Z=0.08980000
          MULT= 4          ISPLIT= 8
      -6: X=0.28770000 Y=0.85320000 Z=0.91020000
      -6: X=0.85320000 Y=0.71230000 Z=0.08980000
      -6: X=0.71230000 Y=0.14680000 Z=0.91020000
F          NPT=  781  R0=.000100000 RMT= 1.84        Z:   9.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000