R   LATTICE,NONEQUIV.ATOMS   3  166 R-3m                                       
MODE OF CALC=RELA unit=bohr                                                    
 11.619925 11.619925 22.514194 90.000000 90.000000120.000000                   
ATOM  -1: X=0.67930000 Y=0.22679000 Z=0.67930000
          MULT= 6          ISPLIT= 8
      -1: X=0.32070000 Y=0.77321000 Z=0.32070000
      -1: X=0.22679000 Y=0.67930000 Z=0.67930000
      -1: X=0.77321000 Y=0.32070000 Z=0.32070000
      -1: X=0.67930000 Y=0.67930000 Z=0.22679000
      -1: X=0.32070000 Y=0.32070000 Z=0.77321000
B          NPT=  781  R0=.000100000 RMT= 1.64        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=0.48400000 Y=0.17531000 Z=0.48400000
          MULT= 6          ISPLIT= 8
      -2: X=0.51600000 Y=0.82469000 Z=0.51600000
      -2: X=0.17531000 Y=0.48400000 Z=0.48400000
      -2: X=0.82469000 Y=0.51600000 Z=0.51600000
      -2: X=0.48400000 Y=0.48400000 Z=0.17531000
      -2: X=0.51600000 Y=0.51600000 Z=0.82469000
B          NPT=  781  R0=.000100000 RMT= 1.64        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=0.10019000 Y=0.10019000 Z=0.10019000
          MULT= 2          ISPLIT= 4
      -3: X=0.89981000 Y=0.89981000 Z=0.89981000
As         NPT=  781  R0=.000050000 RMT= 2.11        Z:  33.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000