R   LATTICE,NONEQUIV.ATOMS   4  166 R-3m                                       
MODE OF CALC=RELA unit=bohr                                                    
 15.544887 15.544887 13.628702 90.000000 90.000000120.000000                   
ATOM  -1: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 1          ISPLIT= 4
Ta         NPT=  781  R0=.000005000 RMT= 2.03        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=0.50000000 Y=0.50000000 Z=0.50000000
          MULT= 1          ISPLIT= 4
K          NPT=  781  R0=.000050000 RMT= 2.50000     Z:  19.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.34480000 Y=0.65520000 Z=0.00000000
          MULT= 6          ISPLIT= 8
      -3: X=0.65520000 Y=0.34480000 Z=0.00000000
      -3: X=0.65520000 Y=0.00000000 Z=0.34480000
      -3: X=0.34480000 Y=0.00000000 Z=0.65520000
      -3: X=0.00000000 Y=0.34480000 Z=0.65520000
      -3: X=0.00000000 Y=0.65520000 Z=0.34480000
Li         NPT=  781  R0=.000100000 RMT= 1.65        Z:   3.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -4: X=0.72880000 Y=0.08309000 Z=0.72880000
          MULT= 6          ISPLIT= 8
      -4: X=0.27120000 Y=0.91691000 Z=0.27120000
      -4: X=0.08309000 Y=0.72880000 Z=0.72880000
      -4: X=0.91691000 Y=0.27120000 Z=0.27120000
      -4: X=0.72880000 Y=0.72880000 Z=0.08309000
      -4: X=0.27120000 Y=0.27120000 Z=0.91691000
O          NPT=  781  R0=.000100000 RMT= 1.75        Z:   8.00000              
LOCAL ROT MATRIX:    0.0000000-0.5000000 0.8660254
                     0.0000000-0.8660254-0.5000000
                     1.0000000 0.0000000 0.0000000