R   LATTICE,NONEQUIV.ATOMS   3  166 R-3m                                       
MODE OF CALC=RELA unit=bohr                                                    
  6.190743  6.190743 48.414784 90.000000 90.000000120.000000                   
ATOM  -1: X=0.38000000 Y=0.38000000 Z=0.38000000
          MULT= 2          ISPLIT= 4
      -1: X=0.62000000 Y=0.62000000 Z=0.62000000
Ta         NPT=  781  R0=.000005000 RMT= 2.36        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=0.22000000 Y=0.22000000 Z=0.22000000
          MULT= 2          ISPLIT= 4
      -2: X=0.78000000 Y=0.78000000 Z=0.78000000
S          NPT=  781  R0=.000100000 RMT= 2.15        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=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 1          ISPLIT= 4
C          NPT=  781  R0=.000100000 RMT= 1.84        Z:   6.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000