R   LATTICE,NONEQUIV.ATOMS   3  166 R-3m                                       
MODE OF CALC=RELA unit=bohr                                                    
 11.308122 11.308122 22.395144 90.000000 90.000000120.000000                   
ATOM  -1: X=0.68500000 Y=0.21599000 Z=0.68500000
          MULT= 6          ISPLIT= 8
      -1: X=0.31500000 Y=0.78401000 Z=0.31500000
      -1: X=0.21599000 Y=0.68500000 Z=0.68500000
      -1: X=0.78401000 Y=0.31500000 Z=0.31500000
      -1: X=0.68500000 Y=0.68500000 Z=0.21599000
      -1: X=0.31500000 Y=0.31500000 Z=0.78401000
B          NPT=  781  R0=.000100000 RMT= 1.62        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=0.48700000 Y=0.17201000 Z=0.48700000
          MULT= 6          ISPLIT= 8
      -2: X=0.51300000 Y=0.82799000 Z=0.51300000
      -2: X=0.17201000 Y=0.48700000 Z=0.48700000
      -2: X=0.82799000 Y=0.51300000 Z=0.51300000
      -2: X=0.48700000 Y=0.48700000 Z=0.17201000
      -2: X=0.51300000 Y=0.51300000 Z=0.82799000
B          NPT=  781  R0=.000100000 RMT= 1.62        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=0.09500000 Y=0.09500000 Z=0.09500000
          MULT= 2          ISPLIT= 4
      -3: X=0.90500000 Y=0.90500000 Z=0.90500000
P          NPT=  781  R0=.000100000 RMT= 1.83        Z:  15.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000