R   LATTICE,NONEQUIV.ATOMS   2  166 R-3m                                       
MODE OF CALC=RELA unit=bohr                                                    
  9.260981  9.260981 23.720597 90.000000 90.000000120.000000                   
ATOM  -1: X=0.51031000 Y=0.15404000 Z=0.51031000
          MULT= 6          ISPLIT= 8
      -1: X=0.48969000 Y=0.84596000 Z=0.48969000
      -1: X=0.15404000 Y=0.51031000 Z=0.51031000
      -1: X=0.84596000 Y=0.48969000 Z=0.48969000
      -1: X=0.51031000 Y=0.51031000 Z=0.15404000
      -1: X=0.48969000 Y=0.48969000 Z=0.84596000
B          NPT=  781  R0=.000100000 RMT= 1.57        Z:   5.00000              
LOCAL ROT MATRIX:    0.0000000-0.5000000 0.8660254
                     0.0000000-0.8660254-0.5000000
                     1.0000000 0.0000000 0.0000000
ATOM  -2: X=0.72115000 Y=0.13043000 Z=0.72115000
          MULT= 6          ISPLIT= 8
      -2: X=0.27885000 Y=0.86957000 Z=0.27885000
      -2: X=0.13043000 Y=0.72115000 Z=0.72115000
      -2: X=0.86957000 Y=0.27885000 Z=0.27885000
      -2: X=0.72115000 Y=0.72115000 Z=0.13043000
      -2: X=0.27885000 Y=0.27885000 Z=0.86957000
B          NPT=  781  R0=.000100000 RMT= 1.57        Z:   5.00000              
LOCAL ROT MATRIX:    0.0000000-0.5000000 0.8660254
                     0.0000000-0.8660254-0.5000000
                     1.0000000 0.0000000 0.0000000