R   LATTICE,NONEQUIV.ATOMS   4  167 R-3c                                       
MODE OF CALC=RELA unit=bohr                                                    
 19.399929 19.399929 22.587895 90.000000 90.000000120.000000                   
ATOM  -1: X=0.60280000 Y=0.89720000 Z=0.25000000
          MULT= 6          ISPLIT= 8
      -1: X=0.39720000 Y=0.10280000 Z=0.75000000
      -1: X=0.89720000 Y=0.25000000 Z=0.60280000
      -1: X=0.10280000 Y=0.75000000 Z=0.39720000
      -1: X=0.25000000 Y=0.60280000 Z=0.89720000
      -1: X=0.75000000 Y=0.39720000 Z=0.10280000
Ba         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  56.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -2: X=0.25000000 Y=0.25000000 Z=0.25000000
          MULT= 2          ISPLIT= 4
      -2: X=0.75000000 Y=0.75000000 Z=0.75000000
Na         NPT=  781  R0=.000100000 RMT= 2.30        Z:  11.00000              
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= 2          ISPLIT= 4
      -3: X=0.50000000 Y=0.50000000 Z=0.50000000
Nb         NPT=  781  R0=.000010000 RMT= 1.98        Z:  41.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.26570000 Y=0.94960000 Z=0.07810000
          MULT=12          ISPLIT= 8
      -4: X=0.73430000 Y=0.05040000 Z=0.92190000
      -4: X=0.94960000 Y=0.07810000 Z=0.26570000
      -4: X=0.05040000 Y=0.92190000 Z=0.73430000
      -4: X=0.76570000 Y=0.57810000 Z=0.44960000
      -4: X=0.23430000 Y=0.42190000 Z=0.55040000
      -4: X=0.07810000 Y=0.26570000 Z=0.94960000
      -4: X=0.92190000 Y=0.73430000 Z=0.05040000
      -4: X=0.57810000 Y=0.44960000 Z=0.76570000
      -4: X=0.42190000 Y=0.55040000 Z=0.23430000
      -4: X=0.44960000 Y=0.76570000 Z=0.57810000
      -4: X=0.55040000 Y=0.23430000 Z=0.42190000
O          NPT=  781  R0=.000100000 RMT= 1.79        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000