F   LATTICE,NONEQUIV.ATOMS   5   43 Fdd2                                       
MODE OF CALC=RELA unit=bohr                                                    
 22.810884 25.488626 14.877814 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -1: X=0.25000000 Y=0.25000000 Z=0.25000000
Ba         NPT=  781  R0=.000010000 RMT= 2.50000     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=0.19230000 Y=0.52070000 Z=0.05630000
          MULT= 4          ISPLIT= 8
      -2: X=0.80770000 Y=0.47930000 Z=0.05630000
      -2: X=0.05770000 Y=0.77070000 Z=0.30630000
      -2: X=0.44230000 Y=0.72930000 Z=0.30630000
Br         NPT=  781  R0=.000050000 RMT= 1.62        Z:  35.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.21200000 Y=0.06000000 Z=0.12400000
          MULT= 4          ISPLIT= 8
      -3: X=0.78800000 Y=0.94000000 Z=0.12400000
      -3: X=0.03800000 Y=0.31000000 Z=0.37400000
      -3: X=0.46200000 Y=0.19000000 Z=0.37400000
O          NPT=  781  R0=.000100000 RMT= 1.47        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.02000000 Y=0.13100000 Z=0.27200000
          MULT= 4          ISPLIT= 8
      -4: X=0.98000000 Y=0.86900000 Z=0.27200000
      -4: X=0.23000000 Y=0.38100000 Z=0.52200000
      -4: X=0.27000000 Y=0.11900000 Z=0.52200000
O          NPT=  781  R0=.000100000 RMT= 1.47        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.12100000 Y=0.55600000 Z=0.22900000
          MULT= 4          ISPLIT= 8
      -5: X=0.87900000 Y=0.44400000 Z=0.22900000
      -5: X=0.12900000 Y=0.80600000 Z=0.47900000
      -5: X=0.37100000 Y=0.69400000 Z=0.47900000
O          NPT=  781  R0=.000100000 RMT= 1.47        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000