B   LATTICE,NONEQUIV.ATOMS   3   88 I41/a                                      
MODE OF CALC=RELA unit=bohr                                                    
 10.317905 10.317905 22.937496 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.25000000 Z=0.62500000
          MULT= 2          ISPLIT=-2
      -1: X=0.00000000 Y=0.75000000 Z=0.37500000
Ba         NPT=  781  R0=.000010000 RMT= 2.48        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=0.00000000 Y=0.25000000 Z=0.12500000
          MULT= 2          ISPLIT=-2
      -2: X=0.00000000 Y=0.75000000 Z=0.87500000
W          NPT=  781  R0=.000005000 RMT= 1.72        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=0.14130000 Y=0.02780000 Z=0.20010000
          MULT= 8          ISPLIT= 8
      -3: X=0.85870000 Y=0.97220000 Z=0.79990000
      -3: X=0.22220000 Y=0.89130000 Z=0.95010000
      -3: X=0.27780000 Y=0.60870000 Z=0.54990000
      -3: X=0.85870000 Y=0.47220000 Z=0.20010000
      -3: X=0.14130000 Y=0.52780000 Z=0.79990000
      -3: X=0.27780000 Y=0.10870000 Z=0.45010000
      -3: X=0.22220000 Y=0.39130000 Z=0.04990000
O          NPT=  781  R0=.000100000 RMT= 1.48        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000