R   LATTICE,NONEQUIV.ATOMS   4  167 R-3c                                       
MODE OF CALC=RELA unit=bohr                                                    
 19.294293 19.294293 23.843050 90.000000 90.000000120.000000                   
ATOM  -1: X=0.25000000 Y=0.25000000 Z=0.25000000
          MULT= 2          ISPLIT= 4
      -1: X=0.75000000 Y=0.75000000 Z=0.75000000
Ba         NPT=  781  R0=.000010000 RMT= 2.44        Z:  56.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.61904000 Y=0.88096000 Z=0.25000000
          MULT= 6          ISPLIT= 8
      -2: X=0.38096000 Y=0.11904000 Z=0.75000000
      -2: X=0.88096000 Y=0.25000000 Z=0.61904000
      -2: X=0.11904000 Y=0.75000000 Z=0.38096000
      -2: X=0.25000000 Y=0.61904000 Z=0.88096000
      -2: X=0.75000000 Y=0.38096000 Z=0.11904000
Ba         NPT=  781  R0=.000010000 RMT= 2.44        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  -3: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 2          ISPLIT= 4
      -3: X=0.50000000 Y=0.50000000 Z=0.50000000
Pt         NPT=  781  R0=.000005000 RMT= 2.16        Z:  78.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.27272000 Y=0.93966000 Z=0.07352000
          MULT=12          ISPLIT= 8
      -4: X=0.72728000 Y=0.06034000 Z=0.92648000
      -4: X=0.93966000 Y=0.07352000 Z=0.27272000
      -4: X=0.06034000 Y=0.92648000 Z=0.72728000
      -4: X=0.77272000 Y=0.57352000 Z=0.43966000
      -4: X=0.22728000 Y=0.42648000 Z=0.56034000
      -4: X=0.07352000 Y=0.27272000 Z=0.93966000
      -4: X=0.92648000 Y=0.72728000 Z=0.06034000
      -4: X=0.57352000 Y=0.43966000 Z=0.77272000
      -4: X=0.42648000 Y=0.56034000 Z=0.22728000
      -4: X=0.43966000 Y=0.77272000 Z=0.57352000
      -4: X=0.56034000 Y=0.22728000 Z=0.42648000
O          NPT=  781  R0=.000100000 RMT= 1.77        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000