R   LATTICE,NONEQUIV.ATOMS   4  167 R-3c                                       
MODE OF CALC=RELA unit=bohr                                                    
 19.162580 19.162580 26.405331 90.000000 90.000000120.000000                   
ATOM  -1: X=0.91970000 Y=0.58030000 Z=0.25000000
          MULT= 6          ISPLIT= 8
      -1: X=0.08030000 Y=0.41970000 Z=0.75000000
      -1: X=0.58030000 Y=0.25000000 Z=0.91970000
      -1: X=0.41970000 Y=0.75000000 Z=0.08030000
      -1: X=0.25000000 Y=0.91970000 Z=0.58030000
      -1: X=0.75000000 Y=0.08030000 Z=0.41970000
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=0.14520000 Y=0.14520000 Z=0.14520000
          MULT= 4          ISPLIT= 4
      -2: X=0.85480000 Y=0.85480000 Z=0.85480000
      -2: X=0.64520000 Y=0.64520000 Z=0.64520000
      -2: X=0.35480000 Y=0.35480000 Z=0.35480000
W          NPT=  781  R0=.000005000 RMT= 1.83        Z:  74.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.39620000 Y=0.10380000 Z=0.25000000
          MULT= 6          ISPLIT= 8
      -3: X=0.60380000 Y=0.89620000 Z=0.75000000
      -3: X=0.10380000 Y=0.25000000 Z=0.39620000
      -3: X=0.89620000 Y=0.75000000 Z=0.60380000
      -3: X=0.25000000 Y=0.39620000 Z=0.10380000
      -3: X=0.75000000 Y=0.60380000 Z=0.89620000
O          NPT=  781  R0=.000100000 RMT= 1.58        Z:   8.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -4: X=0.25080000 Y=0.08649000 Z=0.92830000
          MULT=12          ISPLIT= 8
      -4: X=0.74920000 Y=0.91351000 Z=0.07170000
      -4: X=0.08649000 Y=0.92830000 Z=0.25080000
      -4: X=0.91351000 Y=0.07170000 Z=0.74920000
      -4: X=0.75080000 Y=0.42830000 Z=0.58649000
      -4: X=0.24920000 Y=0.57170000 Z=0.41351000
      -4: X=0.92830000 Y=0.25080000 Z=0.08649000
      -4: X=0.07170000 Y=0.74920000 Z=0.91351000
      -4: X=0.42830000 Y=0.58649000 Z=0.75080000
      -4: X=0.57170000 Y=0.41351000 Z=0.24920000
      -4: X=0.58649000 Y=0.75080000 Z=0.42830000
      -4: X=0.41351000 Y=0.24920000 Z=0.57170000
O          NPT=  781  R0=.000100000 RMT= 1.58        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000