R   LATTICE,NONEQUIV.ATOMS   2  166 R-3m                                       
MODE OF CALC=RELA unit=bohr                                                    
  9.871929  9.871929 17.693503 90.000000 90.000000120.000000                   
ATOM  -1: X=0.33490000 Y=0.66510000 Z=0.00000000
          MULT= 6          ISPLIT= 8
      -1: X=0.66510000 Y=0.33490000 Z=0.00000000
      -1: X=0.66510000 Y=0.00000000 Z=0.33490000
      -1: X=0.33490000 Y=0.00000000 Z=0.66510000
      -1: X=0.00000000 Y=0.33490000 Z=0.66510000
      -1: X=0.00000000 Y=0.66510000 Z=0.33490000
B          NPT=  781  R0=.000100000 RMT= 1.62        Z:   5.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -2: X=0.16490000 Y=0.16490000 Z=0.16490000
          MULT= 2          ISPLIT= 4
      -2: X=0.83510000 Y=0.83510000 Z=0.83510000
Mo         NPT=  781  R0=.000010000 RMT= 2.47        Z:  42.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000