R   LATTICE,NONEQUIV.ATOMS   5  166 R-3m    
MODE OF CALC=RELA unit=bohr
 13.739633 13.739633 31.118688 90.000000 90.000000120.000000
ATOM  -1: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 1          ISPLIT=15
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  -2: X=0.34830000 Y=0.34830000 Z=0.34830000
          MULT= 2          ISPLIT=15
      -2: X=0.65170000 Y=0.65170000 Z=0.65170000
Sb         NPT=  781  R0=.000010000 RMT=   2.00000   Z:  51.00000
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=1.00000000 Z=0.50000000
          MULT= 3          ISPLIT=15
      -3: X=1.00000000 Y=0.50000000 Z=0.00000000
      -3: X=0.50000000 Y=1.00000000 Z=0.00000000
Sb         NPT=  781  R0=.000010000 RMT=   2.00000   Z:  51.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.74010000 Y=0.11689000 Z=0.74010000
          MULT= 6          ISPLIT=15
      -4: X=0.25990000 Y=0.88311000 Z=0.25990000
      -4: X=0.11689000 Y=0.74010000 Z=0.74010000
      -4: X=0.88311000 Y=0.25990000 Z=0.25990000
      -4: X=0.74010000 Y=0.74010000 Z=0.11689000
      -4: X=0.25990000 Y=0.25990000 Z=0.88311000
O          NPT=  781  R0=.000100000 RMT=   2.00000   Z:   8.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.84830000 Y=0.45381000 Z=0.84830000
          MULT= 6          ISPLIT=15
      -5: X=0.15170000 Y=0.54619000 Z=0.15170000
      -5: X=0.45381000 Y=0.84830000 Z=0.84830000
      -5: X=0.54619000 Y=0.15170000 Z=0.15170000
      -5: X=0.84830000 Y=0.84830000 Z=0.45381000
      -5: X=0.15170000 Y=0.15170000 Z=0.54619000
O          NPT=  781  R0=.000100000 RMT=   2.00000   Z:   8.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000