R   LATTICE,NONEQUIV.ATOMS   4  166 R-3m                                       
MODE OF CALC=RELA unit=bohr                                                    
 10.735535 10.735535 50.992371 90.000000 90.000000120.000000                   
ATOM  -1: X=0.08840000 Y=0.08840000 Z=0.08840000
          MULT= 2          ISPLIT= 4
      -1: X=0.91160000 Y=0.91160000 Z=0.91160000
P          NPT=  781  R0=.000100000 RMT= 1.96        Z:  15.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.20800000 Y=0.20800000 Z=0.20800000
          MULT= 2          ISPLIT= 4
      -2: X=0.79200000 Y=0.79200000 Z=0.79200000
Na         NPT=  781  R0=.000100000 RMT= 2.50000     Z:  11.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.39210000 Y=0.39210000 Z=0.39210000
          MULT= 2          ISPLIT= 4
      -3: X=0.60790000 Y=0.60790000 Z=0.60790000
Na         NPT=  781  R0=.000100000 RMT= 2.50000     Z:  11.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 1          ISPLIT= 4
Cd         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  48.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000