R   LATTICE,NONEQUIV.ATOMS   2  166 R-3m                                       
MODE OF CALC=RELA unit=bohr                                                    
  6.563019  6.563019 50.474584 90.000000 90.000000120.000000                   
ATOM  -1: X=0.28630000 Y=0.28630000 Z=0.28630000
          MULT= 2          ISPLIT= 4
      -1: X=0.71370000 Y=0.71370000 Z=0.71370000
Sc         NPT=  781  R0=.000050000 RMT= 2.50000     Z:  21.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.10860000 Y=0.10860000 Z=0.10860000
          MULT= 2          ISPLIT= 4
      -2: X=0.89140000 Y=0.89140000 Z=0.89140000
Cl         NPT=  781  R0=.000100000 RMT= 2.31        Z:  17.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000