B   LATTICE,NONEQUIV.ATOMS   5  140 I4/mcm                                     
MODE OF CALC=RELA unit=bohr                                                    
 16.931946 16.931946 31.401579 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.00000000 Z=0.25000000
          MULT= 2          ISPLIT=-2
      -1: X=0.00000000 Y=0.00000000 Z=0.75000000
Bi         NPT=  781  R0=.000005000 RMT= 2.50000     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  -2: X=0.62283000 Y=0.12283000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -2: X=0.37717000 Y=0.87717000 Z=0.00000000
      -2: X=0.87717000 Y=0.62283000 Z=0.00000000
      -2: X=0.12283000 Y=0.37717000 Z=0.00000000
Bi         NPT=  781  R0=.000005000 RMT= 2.50000     Z:  83.00000              
LOCAL ROT MATRIX:    0.0000000-0.7071068 0.7071068
                     0.0000000 0.7071068 0.7071068
                    -1.0000000 0.0000000 0.0000000
ATOM  -3: X=0.15605000 Y=0.65605000 Z=0.15478000
          MULT= 8          ISPLIT= 8
      -3: X=0.84395000 Y=0.34395000 Z=0.84522000
      -3: X=0.34395000 Y=0.15605000 Z=0.15478000
      -3: X=0.65605000 Y=0.84395000 Z=0.84522000
      -3: X=0.84395000 Y=0.34395000 Z=0.15478000
      -3: X=0.15605000 Y=0.65605000 Z=0.84522000
      -3: X=0.65605000 Y=0.84395000 Z=0.15478000
      -3: X=0.34395000 Y=0.15605000 Z=0.84522000
Ba         NPT=  781  R0=.000010000 RMT= 2.38        Z:  56.00000              
LOCAL ROT MATRIX:    0.0000000-0.7071068-0.7071068
                     0.0000000-0.7071068 0.7071068
                    -1.0000000 0.0000000 0.0000000
ATOM  -4: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 2          ISPLIT=-2
      -4: X=0.00000000 Y=0.00000000 Z=0.50000000
K          NPT=  781  R0=.000050000 RMT= 2.50000     Z:  19.00000              
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=0.50000000 Z=0.25000000
          MULT= 2          ISPLIT=-2
      -5: X=0.00000000 Y=0.50000000 Z=0.75000000
O          NPT=  781  R0=.000100000 RMT= 2.38        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000