R   LATTICE,NONEQUIV.ATOMS   4  148 R-3     
MODE OF CALC=RELA unit=bohr
 15.340420 15.340420 33.193229 90.000000 90.000000120.000000
ATOM  -1: X=0.25060000 Y=0.25060000 Z=0.25060000
          MULT= 2          ISPLIT=15
      -1: X=0.74940000 Y=0.74940000 Z=0.74940000
Re         NPT=  781  R0=.000005000 RMT=   2.00000   Z:  75.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.17170000 Y=0.31330000 Z=0.76100000
          MULT= 6          ISPLIT=15
      -2: X=0.82830000 Y=0.68670000 Z=0.23900000
      -2: X=0.31330000 Y=0.76100000 Z=0.17170000
      -2: X=0.68670000 Y=0.23900000 Z=0.82830000
      -2: X=0.76100000 Y=0.17170000 Z=0.31330000
      -2: X=0.23900000 Y=0.82830000 Z=0.68670000
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=0.28260000 Y=0.46760000 Z=0.00160000
          MULT= 6          ISPLIT=15
      -3: X=0.71740000 Y=0.53240000 Z=0.99840000
      -3: X=0.46760000 Y=0.00160000 Z=0.28260000
      -3: X=0.53240000 Y=0.99840000 Z=0.71740000
      -3: X=0.00160000 Y=0.28260000 Z=0.46760000
      -3: X=0.99840000 Y=0.71740000 Z=0.53240000
N          NPT=  781  R0=.000100000 RMT=   2.00000   Z:   7.00000
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=0.00000000 Z=0.00000000
          MULT= 1          ISPLIT=15
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