B   LATTICE,NONEQUIV.ATOMS   4  109 I41md                                      
MODE OF CALC=RELA unit=bohr                                                    
 11.550006 11.550006 30.141132 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.00000000 Z=0.79690000
          MULT= 2          ISPLIT= 8
      -1: X=0.00000000 Y=0.50000000 Z=0.04690000
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=0.20510000
          MULT= 2          ISPLIT= 8
      -2: X=0.00000000 Y=0.50000000 Z=0.45510000
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=0.00000000
          MULT= 2          ISPLIT= 8
      -3: X=0.00000000 Y=0.50000000 Z=0.25000000
S          NPT=  781  R0=.000100000 RMT= 2.18        Z:  16.00000              
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=0.31000000 Z=0.64260000
          MULT= 4          ISPLIT= 8
      -4: X=0.69000000 Y=0.50000000 Z=0.89260000
      -4: X=0.00000000 Y=0.69000000 Z=0.64260000
      -4: X=0.31000000 Y=0.50000000 Z=0.89260000
S          NPT=  781  R0=.000100000 RMT= 2.18        Z:  16.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000