B   LATTICE,NONEQUIV.ATOMS   5  141 I41/amd 
MODE OF CALC=RELA unit=bohr
 13.469968 13.469968 22.582227 90.000000 90.000000 90.000000
ATOM  -1: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 4          ISPLIT=15
      -1: X=0.25000000 Y=0.75000000 Z=0.25000000
      -1: X=0.00000000 Y=0.50000000 Z=0.00000000
      -1: X=0.25000000 Y=0.25000000 Z=0.75000000
U          NPT=  781  R0=.000005000 RMT=   2.00000   Z:  92.00000
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=0.37500000
          MULT= 2          ISPLIT=15
      -2: X=0.00000000 Y=0.75000000 Z=0.62500000
Ba         NPT=  781  R0=.000010000 RMT=   2.00000   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  -3: X=0.25800000 Y=0.00000000 Z=0.00000000
          MULT= 8          ISPLIT=15
      -3: X=0.74200000 Y=0.00000000 Z=0.00000000
      -3: X=0.25000000 Y=0.00800000 Z=0.25000000
      -3: X=0.25000000 Y=0.49200000 Z=0.25000000
      -3: X=0.74200000 Y=0.50000000 Z=0.00000000
      -3: X=0.25800000 Y=0.50000000 Z=0.00000000
      -3: X=0.25000000 Y=0.99200000 Z=0.75000000
      -3: X=0.25000000 Y=0.50800000 Z=0.75000000
O          NPT=  781  R0=.000100000 RMT=   2.00000   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=0.00000000 Y=0.25000000 Z=0.09600000
          MULT= 4          ISPLIT=15
      -4: X=0.00000000 Y=0.75000000 Z=0.90400000
      -4: X=0.00000000 Y=0.75000000 Z=0.34600000
      -4: X=0.50000000 Y=0.75000000 Z=0.15400000
O          NPT=  781  R0=.000100000 RMT=   2.00000   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=0.00000000 Y=0.75000000 Z=0.12500000
          MULT= 2          ISPLIT=15
      -5: X=0.00000000 Y=0.25000000 Z=0.87500000
O          NPT=  781  R0=.000100000 RMT=   2.00000   Z:   8.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000