R   LATTICE,NONEQUIV.ATOMS   3  166 R-3m    
MODE OF CALC=RELA unit=bohr
  7.328359  7.328359 40.990050 90.000000 90.000000120.000000
ATOM  -1: X=0.50000000 Y=0.50000000 Z=0.50000000
          MULT= 1          ISPLIT=15
C          NPT=  781  R0=.000100000 RMT=   2.00000   Z:   6.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.23220000 Y=0.23220000 Z=0.23220000
          MULT= 2          ISPLIT=15
      -2: X=0.76780000 Y=0.76780000 Z=0.76780000
La         NPT=  781  R0=.000010000 RMT=   2.00000   Z:  57.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 1          ISPLIT=15
Cl         NPT=  781  R0=.000100000 RMT=   2.00000   Z:  17.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000