B   LATTICE,NONEQUIV.ATOMS   3  229 Im-3m   
MODE OF CALC=RELA unit=bohr
 16.471231 16.471231 16.471231 90.000000 90.000000 90.000000
ATOM  -1: X=0.35100000 Y=0.00000000 Z=0.00000000
          MULT= 6          ISPLIT=15
      -1: X=0.64900000 Y=0.00000000 Z=0.00000000
      -1: X=0.00000000 Y=0.35100000 Z=0.00000000
      -1: X=0.00000000 Y=0.64900000 Z=0.00000000
      -1: X=0.00000000 Y=0.00000000 Z=0.35100000
      -1: X=0.00000000 Y=0.00000000 Z=0.64900000
Re         NPT=  781  R0=.000005000 RMT=   2.00000   Z:  75.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.25000000 Y=0.00000000 Z=0.50000000
          MULT= 6          ISPLIT=15
      -2: X=0.75000000 Y=0.00000000 Z=0.50000000
      -2: X=0.00000000 Y=0.25000000 Z=0.50000000
      -2: X=0.00000000 Y=0.75000000 Z=0.50000000
      -2: X=0.50000000 Y=0.00000000 Z=0.25000000
      -2: X=0.50000000 Y=0.00000000 Z=0.75000000
As         NPT=  781  R0=.000050000 RMT=   2.00000   Z:  33.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.15800000 Y=0.15800000 Z=0.15800000
          MULT= 8          ISPLIT=15
      -3: X=0.84200000 Y=0.84200000 Z=0.84200000
      -3: X=0.84200000 Y=0.15800000 Z=0.15800000
      -3: X=0.15800000 Y=0.84200000 Z=0.84200000
      -3: X=0.84200000 Y=0.84200000 Z=0.15800000
      -3: X=0.15800000 Y=0.15800000 Z=0.84200000
      -3: X=0.15800000 Y=0.84200000 Z=0.15800000
      -3: X=0.84200000 Y=0.15800000 Z=0.84200000
As         NPT=  781  R0=.000050000 RMT=   2.00000   Z:  33.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000