R   LATTICE,NONEQUIV.ATOMS   2  166 R-3m                                       
MODE OF CALC=RELA unit=bohr                                                    
  7.090820  7.090820 52.014710 90.000000 90.000000120.000000                   
ATOM  -1: X=0.28317000 Y=0.28317000 Z=0.28317000
          MULT= 2          ISPLIT= 4
      -1: X=0.71683000 Y=0.71683000 Z=0.71683000
Y          NPT=  781  R0=.000010000 RMT= 2.50000     Z:  39.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.11170000 Y=0.11170000 Z=0.11170000
          MULT= 2          ISPLIT= 4
      -2: X=0.88830000 Y=0.88830000 Z=0.88830000
Cl         NPT=  781  R0=.000100000 RMT= 2.45        Z:  17.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000