B   LATTICE,NONEQUIV.ATOMS   1  206 Ia-3                                       
MODE OF CALC=RELA unit=bohr                                                    
  8.112594  8.112594  8.112594 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.10360000 Y=0.10360000 Z=0.10360000
          MULT= 8          ISPLIT= 4
      -1: X=0.89640000 Y=0.89640000 Z=0.89640000
      -1: X=0.89640000 Y=0.39640000 Z=0.10360000
      -1: X=0.10360000 Y=0.60360000 Z=0.89640000
      -1: X=0.10360000 Y=0.89640000 Z=0.39640000
      -1: X=0.89640000 Y=0.10360000 Z=0.60360000
      -1: X=0.89640000 Y=0.60360000 Z=0.39640000
      -1: X=0.10360000 Y=0.39640000 Z=0.60360000
C          NPT=  781  R0=.000100000 RMT= 1.45        Z:   6.00000              
LOCAL ROT MATRIX:    0.7071068 0.4082483 0.5773503
                    -0.7071068 0.4082483 0.5773503
                     0.0000000-0.8164966 0.5773503