R   LATTICE,NONEQUIV.ATOMS   5  166 R-3m                                       
MODE OF CALC=RELA unit=bohr                                                    
  6.918288  6.918288 53.887431 90.000000 90.000000120.000000                   
ATOM  -1: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 1          ISPLIT= 4
N          NPT=  781  R0=.000100000 RMT= 1.97        Z:   7.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.21820000 Y=0.21820000 Z=0.21820000
          MULT= 2          ISPLIT= 4
      -2: X=0.78180000 Y=0.78180000 Z=0.78180000
Cl         NPT=  781  R0=.000100000 RMT= 2.50000     Z:  17.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.32110000 Y=0.32110000 Z=0.32110000
          MULT= 2          ISPLIT= 4
      -3: X=0.67890000 Y=0.67890000 Z=0.67890000
Li         NPT=  781  R0=.000100000 RMT= 1.69        Z:   3.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.06830000 Y=0.06830000 Z=0.06830000
          MULT= 2          ISPLIT= 4
      -4: X=0.93170000 Y=0.93170000 Z=0.93170000
Li         NPT=  781  R0=.000100000 RMT= 1.69        Z:   3.00000              
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
Li         NPT=  781  R0=.000100000 RMT= 1.69        Z:   3.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000