R   LATTICE,NONEQUIV.ATOMS   5  166 R-3m                                       
MODE OF CALC=RELA unit=bohr                                                    
  8.449722  8.449722 67.860063 90.000000 90.000000120.000000                   
ATOM  -1: X=0.08918000 Y=0.08918000 Z=0.08918000
          MULT= 2          ISPLIT= 4
      -1: X=0.91082000 Y=0.91082000 Z=0.91082000
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
ATOM  -2: X=0.30141000 Y=0.30141000 Z=0.30141000
          MULT= 2          ISPLIT= 4
      -2: X=0.69859000 Y=0.69859000 Z=0.69859000
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
ATOM  -3: X=0.22775000 Y=0.22775000 Z=0.22775000
          MULT= 2          ISPLIT= 4
      -3: X=0.77225000 Y=0.77225000 Z=0.77225000
As         NPT=  781  R0=.000050000 RMT= 2.42        Z:  33.00000              
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
As         NPT=  781  R0=.000050000 RMT= 2.42        Z:  33.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.50000000 Y=0.50000000 Z=0.50000000
          MULT= 1          ISPLIT= 4
K          NPT=  781  R0=.000050000 RMT= 2.50000     Z:  19.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000