R   LATTICE,NONEQUIV.ATOMS   2  166 R-3m                                       
MODE OF CALC=RELA unit=bohr                                                    
  9.197299  9.197299 12.181175 90.000000 90.000000120.000000                   
ATOM  -1: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 1          ISPLIT= 4
Ca         NPT=  781  R0=.000050000 RMT= 2.50000     Z:  20.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.40200000 Y=0.40200000 Z=0.40200000
          MULT= 2          ISPLIT= 4
      -2: X=0.59800000 Y=0.59800000 Z=0.59800000
C          NPT=  781  R0=.000100000 RMT= 1.19        Z:   6.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000