B   LATTICE,NONEQUIV.ATOMS   5   71 Immm                                       
MODE OF CALC=RELA unit=bohr                                                    
  9.442961 14.407461 31.065208 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.50000000 Y=0.00000000 Z=0.36764000
          MULT= 2          ISPLIT= 8
      -1: X=0.50000000 Y=0.00000000 Z=0.63236000
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=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 1          ISPLIT= 8
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  -3: X=0.00000000 Y=0.00000000 Z=0.21278000
          MULT= 2          ISPLIT= 8
      -3: X=0.00000000 Y=0.00000000 Z=0.78722000
Sb         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  51.00000              
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=0.18510000 Z=0.50000000
          MULT= 2          ISPLIT= 8
      -4: X=0.00000000 Y=0.81490000 Z=0.50000000
Sb         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  51.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -5: X=0.00000000 Y=0.30570000 Z=0.32410000
          MULT= 4          ISPLIT= 8
      -5: X=0.00000000 Y=0.69430000 Z=0.67590000
      -5: X=0.00000000 Y=0.30570000 Z=0.67590000
      -5: X=0.00000000 Y=0.69430000 Z=0.32410000
Li         NPT=  781  R0=.000100000 RMT= 2.30        Z:   3.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000