B   LATTICE,NONEQUIV.ATOMS   5  229 Im-3m                                      
MODE OF CALC=RELA unit=bohr                                                    
 15.644098 15.644098 15.644098 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.25000000 Y=0.25000000 Z=0.25000000
          MULT= 4          ISPLIT= 4
      -1: X=0.75000000 Y=0.25000000 Z=0.25000000
      -1: X=0.75000000 Y=0.75000000 Z=0.25000000
      -1: X=0.25000000 Y=0.75000000 Z=0.25000000
Ba         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  56.00000              
LOCAL ROT MATRIX:    0.4082483-0.7071068 0.5773503
                     0.4082483 0.7071068 0.5773503
                    -0.8164966 0.0000000 0.5773503
ATOM  -2: X=0.00000000 Y=0.50000000 Z=0.50000000
          MULT= 3          ISPLIT=-2
      -2: X=0.50000000 Y=0.00000000 Z=0.50000000
      -2: X=0.50000000 Y=0.50000000 Z=0.00000000
Sb         NPT=  781  R0=.000010000 RMT= 1.91        Z:  51.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     0.0000000 1.0000000 0.0000000
                    -1.0000000 0.0000000 0.0000000
ATOM   3: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 1          ISPLIT= 2
Na         NPT=  781  R0=.000100000 RMT= 2.11        Z:  11.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.25000000 Y=0.00000000 Z=0.50000000
          MULT= 6          ISPLIT=-2
      -4: X=0.75000000 Y=0.00000000 Z=0.50000000
      -4: X=0.00000000 Y=0.25000000 Z=0.50000000
      -4: X=0.00000000 Y=0.75000000 Z=0.50000000
      -4: X=0.50000000 Y=0.00000000 Z=0.25000000
      -4: X=0.50000000 Y=0.00000000 Z=0.75000000
O          NPT=  781  R0=.000100000 RMT= 1.64        Z:   8.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     0.7071068-0.7071068 0.0000000
                     0.7071068 0.7071068 0.0000000
ATOM  -5: X=0.27140000 Y=0.00000000 Z=0.00000000
          MULT= 6          ISPLIT=-2
      -5: X=0.72860000 Y=0.00000000 Z=0.00000000
      -5: X=0.00000000 Y=0.27140000 Z=0.00000000
      -5: X=0.00000000 Y=0.72860000 Z=0.00000000
      -5: X=0.00000000 Y=0.00000000 Z=0.27140000
      -5: X=0.00000000 Y=0.00000000 Z=0.72860000
O          NPT=  781  R0=.000100000 RMT= 1.64        Z:   8.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     0.0000000 1.0000000 0.0000000
                    -1.0000000 0.0000000 0.0000000