B   LATTICE,NONEQUIV.ATOMS   2  217 I-43m                                      
MODE OF CALC=RELA unit=bohr                                                    
  8.101256  8.101256  8.101256 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.35320000 Y=0.00000000 Z=0.00000000
          MULT= 6          ISPLIT= 8
      -1: X=0.00000000 Y=0.64680000 Z=0.00000000
      -1: X=0.00000000 Y=0.35320000 Z=0.00000000
      -1: X=0.64680000 Y=0.00000000 Z=0.00000000
      -1: X=0.00000000 Y=0.00000000 Z=0.64680000
      -1: X=0.00000000 Y=0.00000000 Z=0.35320000
N          NPT=  781  R0=.000100000 RMT= 1.18        Z:   7.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     0.7071068 0.7071068 0.0000000
                    -0.7071068 0.7071068 0.0000000
ATOM  -2: X=0.17450000 Y=0.17450000 Z=0.17450000
          MULT= 4          ISPLIT= 4
      -2: X=0.17450000 Y=0.82550000 Z=0.82550000
      -2: X=0.82550000 Y=0.82550000 Z=0.17450000
      -2: X=0.82550000 Y=0.17450000 Z=0.82550000
N          NPT=  781  R0=.000100000 RMT= 1.18        Z:   7.00000              
LOCAL ROT MATRIX:    0.4082483-0.7071068 0.5773503
                     0.4082483 0.7071068 0.5773503
                    -0.8164966 0.0000000 0.5773503