R   LATTICE,NONEQUIV.ATOMS   4  148 R-3     
MODE OF CALC=RELA unit=bohr
 11.398640 11.398640 27.863824 90.000000 90.000000120.000000
ATOM  -1: X=0.25140000 Y=0.25140000 Z=0.25140000
          MULT= 2          ISPLIT=15
      -1: X=0.74860000 Y=0.74860000 Z=0.74860000
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  -2: X=0.50000000 Y=0.50000000 Z=0.50000000
          MULT= 1          ISPLIT=15
Lu         NPT=  781  R0=.000010000 RMT=   2.00000   Z:  71.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 1          ISPLIT=15
Bi         NPT=  781  R0=.000005000 RMT=   2.00000   Z:  83.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.23000000 Y=0.26001000 Z=0.76400000
          MULT= 6          ISPLIT=15
      -4: X=0.77000000 Y=0.73999000 Z=0.23600000
      -4: X=0.26001000 Y=0.76400000 Z=0.23000000
      -4: X=0.73999000 Y=0.23600000 Z=0.77000000
      -4: X=0.76400000 Y=0.23000000 Z=0.26001000
      -4: X=0.23600000 Y=0.77000000 Z=0.73999000
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