R   LATTICE,NONEQUIV.ATOMS   3  166 R-3m                                       
MODE OF CALC=RELA unit=bohr                                                    
 10.142161 10.142161 23.290875 90.000000 90.000000120.000000                   
ATOM  -1: X=0.69960000 Y=0.17659000 Z=0.69960000
          MULT= 6          ISPLIT= 8
      -1: X=0.30040000 Y=0.82341000 Z=0.30040000
      -1: X=0.17659000 Y=0.69960000 Z=0.69960000
      -1: X=0.82341000 Y=0.30040000 Z=0.30040000
      -1: X=0.69960000 Y=0.69960000 Z=0.17659000
      -1: X=0.30040000 Y=0.30040000 Z=0.82341000
B          NPT=  781  R0=.000100000 RMT= 1.30        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=0.49790000 Y=0.15321000 Z=0.49790000
          MULT= 6          ISPLIT= 8
      -2: X=0.50210000 Y=0.84679000 Z=0.50210000
      -2: X=0.15321000 Y=0.49790000 Z=0.49790000
      -2: X=0.84679000 Y=0.50210000 Z=0.50210000
      -2: X=0.49790000 Y=0.49790000 Z=0.15321000
      -2: X=0.50210000 Y=0.50210000 Z=0.84679000
B          NPT=  781  R0=.000100000 RMT= 1.30        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=0.12430000 Y=0.12430000 Z=0.12430000
          MULT= 2          ISPLIT= 4
      -3: X=0.87570000 Y=0.87570000 Z=0.87570000
O          NPT=  781  R0=.000100000 RMT= 1.51        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000