R   LATTICE,NONEQUIV.ATOMS   3  166 R-3m                                       
MODE OF CALC=RELA unit=bohr                                                    
  6.311686  6.311686 67.916757 90.000000 90.000000120.000000                   
ATOM  -1: X=0.08300000 Y=0.08300000 Z=0.08300000
          MULT= 2          ISPLIT= 4
      -1: X=0.91700000 Y=0.91700000 Z=0.91700000
Ta         NPT=  781  R0=.000005000 RMT= 2.50000     Z:  73.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.20800000 Y=0.20800000 Z=0.20800000
          MULT= 2          ISPLIT= 4
      -2: X=0.79200000 Y=0.79200000 Z=0.79200000
S          NPT=  781  R0=.000100000 RMT= 2.06        Z:  16.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.37500000 Y=0.37500000 Z=0.37500000
          MULT= 2          ISPLIT= 4
      -3: X=0.62500000 Y=0.62500000 Z=0.62500000
S          NPT=  781  R0=.000100000 RMT= 2.06        Z:  16.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000