B   LATTICE,NONEQUIV.ATOMS   4  139 I4/mmm  
MODE OF CALC=RELA unit=bohr
 10.380266 10.380266 20.730296 90.000000 90.000000 90.000000
ATOM  -1: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 1          ISPLIT=15
Pa         NPT=  781  R0=.000005000 RMT=   2.00000   Z:  91.00000
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= 1          ISPLIT=15
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=0.00000000 Y=0.50000000 Z=0.25000000
          MULT= 2          ISPLIT=15
      -3: 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  -4: X=0.23630000 Y=0.23630000 Z=0.11260000
          MULT= 8          ISPLIT=15
      -4: X=0.76370000 Y=0.76370000 Z=0.88740000
      -4: X=0.76370000 Y=0.23630000 Z=0.11260000
      -4: X=0.23630000 Y=0.76370000 Z=0.88740000
      -4: X=0.76370000 Y=0.76370000 Z=0.11260000
      -4: X=0.23630000 Y=0.23630000 Z=0.88740000
      -4: X=0.23630000 Y=0.76370000 Z=0.11260000
      -4: X=0.76370000 Y=0.23630000 Z=0.88740000
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