R   LATTICE,NONEQUIV.ATOMS   4  167 R-3c                                       
MODE OF CALC=RELA unit=bohr                                                    
 19.418826 19.418826 22.601121 90.000000 90.000000120.000000                   
ATOM  -1: X=0.60180000 Y=0.89820000 Z=0.25000000
          MULT= 6          ISPLIT= 8
      -1: X=0.39820000 Y=0.10180000 Z=0.75000000
      -1: X=0.89820000 Y=0.25000000 Z=0.60180000
      -1: X=0.10180000 Y=0.75000000 Z=0.39820000
      -1: X=0.25000000 Y=0.60180000 Z=0.89820000
      -1: X=0.75000000 Y=0.39820000 Z=0.10180000
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
Ta         NPT=  781  R0=.000005000 RMT= 2.03        Z:  73.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.26580000 Y=0.94960000 Z=0.07800000
          MULT=12          ISPLIT= 8
      -4: X=0.73420000 Y=0.05040000 Z=0.92200000
      -4: X=0.94960000 Y=0.07800000 Z=0.26580000
      -4: X=0.05040000 Y=0.92200000 Z=0.73420000
      -4: X=0.76580000 Y=0.57800000 Z=0.44960000
      -4: X=0.23420000 Y=0.42200000 Z=0.55040000
      -4: X=0.07800000 Y=0.26580000 Z=0.94960000
      -4: X=0.92200000 Y=0.73420000 Z=0.05040000
      -4: X=0.57800000 Y=0.44960000 Z=0.76580000
      -4: X=0.42200000 Y=0.55040000 Z=0.23420000
      -4: X=0.44960000 Y=0.76580000 Z=0.57800000
      -4: X=0.55040000 Y=0.23420000 Z=0.42200000
O          NPT=  781  R0=.000100000 RMT= 1.75        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000