R   LATTICE,NONEQUIV.ATOMS   4  166 R-3m                                       
MODE OF CALC=RELA unit=bohr                                                    
  5.689965  5.689965 39.551966 90.000000 90.000000120.000000                   
ATOM  -1: X=0.42500000 Y=0.42500000 Z=0.42500000
          MULT= 2          ISPLIT= 4
      -1: X=0.57500000 Y=0.57500000 Z=0.57500000
W          NPT=  781  R0=.000005000 RMT= 2.49        Z:  74.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.16700000 Y=0.16700000 Z=0.16700000
          MULT= 2          ISPLIT= 4
      -2: X=0.83300000 Y=0.83300000 Z=0.83300000
B          NPT=  781  R0=.000100000 RMT= 1.63        Z:   5.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.31400000 Y=0.31400000 Z=0.31400000
          MULT= 2          ISPLIT= 4
      -3: X=0.68600000 Y=0.68600000 Z=0.68600000
B          NPT=  781  R0=.000100000 RMT= 1.63        Z:   5.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 1          ISPLIT= 4
B          NPT=  781  R0=.000100000 RMT= 1.63        Z:   5.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000