B   LATTICE,NONEQUIV.ATOMS   3  217 I-43m   
MODE OF CALC=RELA unit=bohr
 15.990863 15.990863 15.990863 90.000000 90.000000 90.000000
ATOM  -1: X=0.18770000 Y=0.18770000 Z=0.18770000
          MULT= 4          ISPLIT=15
      -1: X=0.18770000 Y=0.81230000 Z=0.81230000
      -1: X=0.81230000 Y=0.81230000 Z=0.18770000
      -1: X=0.81230000 Y=0.18770000 Z=0.81230000
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=0.20870000 Y=0.20870000 Z=0.44470000
          MULT=12          ISPLIT=15
      -2: X=0.20870000 Y=0.79130000 Z=0.55530000
      -2: X=0.44470000 Y=0.20870000 Z=0.20870000
      -2: X=0.79130000 Y=0.79130000 Z=0.44470000
      -2: X=0.20870000 Y=0.55530000 Z=0.79130000
      -2: X=0.79130000 Y=0.20870000 Z=0.55530000
      -2: X=0.55530000 Y=0.79130000 Z=0.20870000
      -2: X=0.79130000 Y=0.44470000 Z=0.79130000
      -2: X=0.44470000 Y=0.79130000 Z=0.79130000
      -2: X=0.79130000 Y=0.55530000 Z=0.20870000
      -2: X=0.55530000 Y=0.20870000 Z=0.79130000
      -2: X=0.20870000 Y=0.44470000 Z=0.20870000
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
ATOM  -3: X=0.22160000 Y=0.00000000 Z=0.00000000
          MULT= 6          ISPLIT=15
      -3: X=0.00000000 Y=0.77840000 Z=0.00000000
      -3: X=0.00000000 Y=0.22160000 Z=0.00000000
      -3: X=0.77840000 Y=0.00000000 Z=0.00000000
      -3: X=0.00000000 Y=0.00000000 Z=0.77840000
      -3: X=0.00000000 Y=0.00000000 Z=0.22160000
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