R   LATTICE,NONEQUIV.ATOMS   5  167 R-3c    
MODE OF CALC=RELA unit=bohr
 19.959288 19.959288 30.872454 90.000000 90.000000120.000000
ATOM  -1: X=0.25000000 Y=0.25000000 Z=0.25000000
          MULT= 2          ISPLIT=15
      -1: X=0.75000000 Y=0.75000000 Z=0.75000000
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=0.66065000 Y=0.83935000 Z=0.25000000
          MULT= 6          ISPLIT=15
      -2: X=0.33935000 Y=0.16065000 Z=0.75000000
      -2: X=0.83935000 Y=0.25000000 Z=0.66065000
      -2: X=0.16065000 Y=0.75000000 Z=0.33935000
      -2: X=0.25000000 Y=0.66065000 Z=0.83935000
      -2: X=0.75000000 Y=0.33935000 Z=0.16065000
Au         NPT=  781  R0=.000005000 RMT=   2.00000   Z:  79.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.47975000 Y=0.02025000 Z=0.25000000
          MULT= 6          ISPLIT=15
      -3: X=0.52025000 Y=0.97975000 Z=0.75000000
      -3: X=0.02025000 Y=0.25000000 Z=0.47975000
      -3: X=0.97975000 Y=0.75000000 Z=0.52025000
      -3: X=0.25000000 Y=0.47975000 Z=0.02025000
      -3: X=0.75000000 Y=0.52025000 Z=0.97975000
F          NPT=  781  R0=.000100000 RMT=   2.00000   Z:   9.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.83977000 Y=0.66023000 Z=0.25000000
          MULT= 6          ISPLIT=15
      -4: X=0.16023000 Y=0.33977000 Z=0.75000000
      -4: X=0.66023000 Y=0.25000000 Z=0.83977000
      -4: X=0.33977000 Y=0.75000000 Z=0.16023000
      -4: X=0.25000000 Y=0.83977000 Z=0.66023000
      -4: X=0.75000000 Y=0.16023000 Z=0.33977000
F          NPT=  781  R0=.000100000 RMT=   2.00000   Z:   9.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.30635000 Y=0.12857000 Z=0.98913000
          MULT=12          ISPLIT=15
      -5: X=0.69365000 Y=0.87143000 Z=0.01087000
      -5: X=0.12857000 Y=0.98913000 Z=0.30635000
      -5: X=0.87143000 Y=0.01087000 Z=0.69365000
      -5: X=0.80635000 Y=0.48913000 Z=0.62857000
      -5: X=0.19365000 Y=0.51087000 Z=0.37143000
      -5: X=0.98913000 Y=0.30635000 Z=0.12857000
      -5: X=0.01087000 Y=0.69365000 Z=0.87143000
      -5: X=0.48913000 Y=0.62857000 Z=0.80635000
      -5: X=0.51087000 Y=0.37143000 Z=0.19365000
      -5: X=0.62857000 Y=0.80635000 Z=0.48913000
      -5: X=0.37143000 Y=0.19365000 Z=0.51087000
F          NPT=  781  R0=.000100000 RMT=   2.00000   Z:   9.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000