R   LATTICE,NONEQUIV.ATOMS   3  166 R-3m                                       
MODE OF CALC=RELA unit=bohr                                                    
  6.181294  6.181294 48.146441 90.000000 90.000000120.000000                   
ATOM  -1: X=0.37900000 Y=0.37900000 Z=0.37900000
          MULT= 2          ISPLIT= 4
      -1: X=0.62100000 Y=0.62100000 Z=0.62100000
Nb         NPT=  781  R0=.000010000 RMT= 2.29        Z:  41.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.22900000 Y=0.22900000 Z=0.22900000
          MULT= 2          ISPLIT= 4
      -2: X=0.77100000 Y=0.77100000 Z=0.77100000
S          NPT=  781  R0=.000100000 RMT= 2.09        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= 1.87        Z:   6.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000