B   LATTICE,NONEQUIV.ATOMS   3  122 I-42d                                      
MODE OF CALC=RELA unit=bohr                                                    
  9.395907  9.395907 13.182730 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 2          ISPLIT=-2
      -1: X=0.00000000 Y=0.50000000 Z=0.25000000
P          NPT=  781  R0=.000100000 RMT= 1.50        Z:  15.00000              
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=0.50000000
          MULT= 2          ISPLIT=-2
      -2: X=0.00000000 Y=0.50000000 Z=0.75000000
Na         NPT=  781  R0=.000100000 RMT= 2.32        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  -3: X=0.12390000 Y=0.25000000 Z=0.12500000
          MULT= 4          ISPLIT= 8
      -3: X=0.25000000 Y=0.87610000 Z=0.87500000
      -3: X=0.87610000 Y=0.75000000 Z=0.12500000
      -3: X=0.75000000 Y=0.12390000 Z=0.87500000
N          NPT=  781  R0=.000100000 RMT= 1.58        Z:   7.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000