R   LATTICE,NONEQUIV.ATOMS   4  167 R-3c                                       
MODE OF CALC=RELA unit=bohr                                                    
 19.142928 19.142928 26.380577 90.000000 90.000000120.000000                   
ATOM  -1: X=0.91670000 Y=0.58330000 Z=0.25000000
          MULT= 6          ISPLIT= 8
      -1: X=0.08330000 Y=0.41670000 Z=0.75000000
      -1: X=0.58330000 Y=0.25000000 Z=0.91670000
      -1: X=0.41670000 Y=0.75000000 Z=0.08330000
      -1: X=0.25000000 Y=0.91670000 Z=0.58330000
      -1: X=0.75000000 Y=0.08330000 Z=0.41670000
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=0.14600000 Y=0.14600000 Z=0.14600000
          MULT= 4          ISPLIT= 4
      -2: X=0.85400000 Y=0.85400000 Z=0.85400000
      -2: X=0.64600000 Y=0.64600000 Z=0.64600000
      -2: X=0.35400000 Y=0.35400000 Z=0.35400000
W          NPT=  781  R0=.000005000 RMT= 1.92        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=0.41670000 Y=0.08330000 Z=0.25000000
          MULT= 6          ISPLIT= 8
      -3: X=0.58330000 Y=0.91670000 Z=0.75000000
      -3: X=0.08330000 Y=0.25000000 Z=0.41670000
      -3: X=0.91670000 Y=0.75000000 Z=0.58330000
      -3: X=0.25000000 Y=0.41670000 Z=0.08330000
      -3: X=0.75000000 Y=0.58330000 Z=0.91670000
O          NPT=  781  R0=.000100000 RMT= 1.65        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=0.25000000 Y=0.08341000 Z=0.91670000
          MULT=12          ISPLIT= 8
      -4: X=0.75000000 Y=0.91659000 Z=0.08330000
      -4: X=0.08341000 Y=0.91670000 Z=0.25000000
      -4: X=0.91659000 Y=0.08330000 Z=0.75000000
      -4: X=0.75000000 Y=0.41670000 Z=0.58341000
      -4: X=0.25000000 Y=0.58330000 Z=0.41659000
      -4: X=0.91670000 Y=0.25000000 Z=0.08341000
      -4: X=0.08330000 Y=0.75000000 Z=0.91659000
      -4: X=0.41670000 Y=0.58341000 Z=0.75000000
      -4: X=0.58330000 Y=0.41659000 Z=0.25000000
      -4: X=0.58341000 Y=0.75000000 Z=0.41670000
      -4: X=0.41659000 Y=0.25000000 Z=0.58330000
O          NPT=  781  R0=.000100000 RMT= 1.65        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000