R   LATTICE,NONEQUIV.ATOMS   3  166 R-3m                                       
MODE OF CALC=RELA unit=bohr                                                    
 11.338358 11.338358 22.406483 90.000000 90.000000120.000000                   
ATOM  -1: X=0.68490000 Y=0.21589000 Z=0.68490000
          MULT= 6          ISPLIT= 8
      -1: X=0.31510000 Y=0.78411000 Z=0.31510000
      -1: X=0.21589000 Y=0.68490000 Z=0.68490000
      -1: X=0.78411000 Y=0.31510000 Z=0.31510000
      -1: X=0.68490000 Y=0.68490000 Z=0.21589000
      -1: X=0.31510000 Y=0.31510000 Z=0.78411000
B          NPT=  781  R0=.000100000 RMT= 1.63        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=0.48710000 Y=0.17331000 Z=0.48710000
          MULT= 6          ISPLIT= 8
      -2: X=0.51290000 Y=0.82669000 Z=0.51290000
      -2: X=0.17331000 Y=0.48710000 Z=0.48710000
      -2: X=0.82669000 Y=0.51290000 Z=0.51290000
      -2: X=0.48710000 Y=0.48710000 Z=0.17331000
      -2: X=0.51290000 Y=0.51290000 Z=0.82669000
B          NPT=  781  R0=.000100000 RMT= 1.63        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  -3: X=0.09456000 Y=0.09456000 Z=0.09456000
          MULT= 2          ISPLIT= 4
      -3: X=0.90544000 Y=0.90544000 Z=0.90544000
P          NPT=  781  R0=.000100000 RMT= 1.84        Z:  15.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000