B   LATTICE,NONEQUIV.ATOMS   3   82 I-4                                        
MODE OF CALC=RELA unit=bohr                                                    
  9.165172  9.165172 12.472192 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.50000000 Z=0.25000000
          MULT= 1          ISPLIT=-2
Al         NPT=  781  R0=.000100000 RMT= 1.44        Z:  13.00000              
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= 1.26        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=0.02380000 Y=0.24010000 Z=0.12000000
          MULT= 4          ISPLIT= 8
      -3: X=0.24010000 Y=0.97620000 Z=0.88000000
      -3: X=0.97620000 Y=0.75990000 Z=0.12000000
      -3: X=0.75990000 Y=0.02380000 Z=0.88000000
O          NPT=  781  R0=.000100000 RMT= 1.39        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000