B   LATTICE,NONEQUIV.ATOMS   3  139 I4/mmm  
MODE OF CALC=RELA unit=bohr
  9.958857  9.958857 21.164933 90.000000 90.000000 90.000000
ATOM  -1: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 1          ISPLIT=15
U          NPT=  781  R0=.000005000 RMT=   2.00000   Z:  92.00000
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=0.50000000 Z=0.25000000
          MULT= 2          ISPLIT=15
      -2: X=0.00000000 Y=0.50000000 Z=0.75000000
Na         NPT=  781  R0=.000100000 RMT=   2.00000   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=0.25000000 Y=0.25000000 Z=0.11900000
          MULT= 8          ISPLIT=15
      -3: X=0.75000000 Y=0.75000000 Z=0.88100000
      -3: X=0.75000000 Y=0.25000000 Z=0.11900000
      -3: X=0.25000000 Y=0.75000000 Z=0.88100000
      -3: X=0.75000000 Y=0.75000000 Z=0.11900000
      -3: X=0.25000000 Y=0.25000000 Z=0.88100000
      -3: X=0.25000000 Y=0.75000000 Z=0.11900000
      -3: X=0.75000000 Y=0.25000000 Z=0.88100000
F          NPT=  781  R0=.000100000 RMT=   2.00000   Z:   9.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000