F   LATTICE,NONEQUIV.ATOMS   5   43 Fdd2                                       
MODE OF CALC=RELA unit=bohr                                                    
 22.249636 25.082335 14.585662 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=0.19758000 Y=0.52066000 Z=0.06060000
          MULT= 4          ISPLIT= 8
      -2: X=0.80242000 Y=0.47934000 Z=0.06060000
      -2: X=0.05242000 Y=0.77066000 Z=0.31060000
      -2: X=0.44758000 Y=0.72934000 Z=0.31060000
Cl         NPT=  781  R0=.000100000 RMT= 1.36        Z:  17.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.21690000 Y=0.05670000 Z=0.11670000
          MULT= 4          ISPLIT= 8
      -3: X=0.78310000 Y=0.94330000 Z=0.11670000
      -3: X=0.03310000 Y=0.30670000 Z=0.36670000
      -3: X=0.46690000 Y=0.19330000 Z=0.36670000
O          NPT=  781  R0=.000100000 RMT= 1.36        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=0.01860000 Y=0.14000000 Z=0.26910000
          MULT= 4          ISPLIT= 8
      -4: X=0.98140000 Y=0.86000000 Z=0.26910000
      -4: X=0.23140000 Y=0.39000000 Z=0.51910000
      -4: X=0.26860000 Y=0.11000000 Z=0.51910000
O          NPT=  781  R0=.000100000 RMT= 1.36        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=0.13090000 Y=0.54530000 Z=0.21170000
          MULT= 4          ISPLIT= 8
      -5: X=0.86910000 Y=0.45470000 Z=0.21170000
      -5: X=0.11910000 Y=0.79530000 Z=0.46170000
      -5: X=0.38090000 Y=0.70470000 Z=0.46170000
O          NPT=  781  R0=.000100000 RMT= 1.36        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000