B   LATTICE,NONEQUIV.ATOMS   3  217 I-43m                                      
MODE OF CALC=RELA unit=bohr                                                    
 18.305777 18.305777 18.305777 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.37810000 Y=0.37810000 Z=0.10760000
          MULT=12          ISPLIT= 8
      -1: X=0.37810000 Y=0.62190000 Z=0.89240000
      -1: X=0.10760000 Y=0.37810000 Z=0.37810000
      -1: X=0.62190000 Y=0.62190000 Z=0.10760000
      -1: X=0.37810000 Y=0.89240000 Z=0.62190000
      -1: X=0.62190000 Y=0.37810000 Z=0.89240000
      -1: X=0.89240000 Y=0.62190000 Z=0.37810000
      -1: X=0.62190000 Y=0.10760000 Z=0.62190000
      -1: X=0.10760000 Y=0.62190000 Z=0.62190000
      -1: X=0.62190000 Y=0.89240000 Z=0.37810000
      -1: X=0.89240000 Y=0.37810000 Z=0.62190000
      -1: X=0.37810000 Y=0.10760000 Z=0.37810000
Na         NPT=  781  R0=.000100000 RMT= 2.29        Z:  11.00000              
LOCAL ROT MATRIX:    0.0000000-0.7071068-0.7071068
                     0.0000000-0.7071068 0.7071068
                    -1.0000000 0.0000000 0.0000000
ATOM  -2: X=0.14230000 Y=0.14230000 Z=0.14230000
          MULT= 4          ISPLIT= 4
      -2: X=0.14230000 Y=0.85770000 Z=0.85770000
      -2: X=0.85770000 Y=0.85770000 Z=0.14230000
      -2: X=0.85770000 Y=0.14230000 Z=0.85770000
Bi         NPT=  781  R0=.000005000 RMT= 2.12        Z:  83.00000              
LOCAL ROT MATRIX:    0.4082483-0.7071068 0.5773503
                     0.4082483 0.7071068 0.5773503
                    -0.8164966 0.0000000 0.5773503
ATOM  -3: X=0.12810000 Y=0.12810000 Z=0.35340000
          MULT=12          ISPLIT= 8
      -3: X=0.12810000 Y=0.87190000 Z=0.64660000
      -3: X=0.35340000 Y=0.12810000 Z=0.12810000
      -3: X=0.87190000 Y=0.87190000 Z=0.35340000
      -3: X=0.12810000 Y=0.64660000 Z=0.87190000
      -3: X=0.87190000 Y=0.12810000 Z=0.64660000
      -3: X=0.64660000 Y=0.87190000 Z=0.12810000
      -3: X=0.87190000 Y=0.35340000 Z=0.87190000
      -3: X=0.35340000 Y=0.87190000 Z=0.87190000
      -3: X=0.87190000 Y=0.64660000 Z=0.12810000
      -3: X=0.64660000 Y=0.12810000 Z=0.87190000
      -3: X=0.12810000 Y=0.35340000 Z=0.12810000
O          NPT=  781  R0=.000100000 RMT= 1.74        Z:   8.00000              
LOCAL ROT MATRIX:    0.0000000-0.7071068-0.7071068
                     0.0000000-0.7071068 0.7071068
                    -1.0000000 0.0000000 0.0000000