B   LATTICE,NONEQUIV.ATOMS   3   88 I41/a   
MODE OF CALC=RELA unit=bohr
  9.607368  9.607368 21.214066 90.000000 90.000000 90.000000
ATOM  -1: X=0.00000000 Y=0.25000000 Z=0.12500000
          MULT= 2          ISPLIT=15
      -1: X=0.00000000 Y=0.75000000 Z=0.87500000
Ge         NPT=  781  R0=.000050000 RMT=   2.00000   Z:  32.00000
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=0.25000000 Z=0.62500000
          MULT= 2          ISPLIT=15
      -2: X=0.00000000 Y=0.75000000 Z=0.37500000
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  -3: X=0.27000000 Y=0.14000000 Z=0.04500000
          MULT= 8          ISPLIT=15
      -3: X=0.73000000 Y=0.86000000 Z=0.95500000
      -3: X=0.11000000 Y=0.02000000 Z=0.79500000
      -3: X=0.39000000 Y=0.48000000 Z=0.70500000
      -3: X=0.73000000 Y=0.36000000 Z=0.04500000
      -3: X=0.27000000 Y=0.64000000 Z=0.95500000
      -3: X=0.39000000 Y=0.98000000 Z=0.29500000
      -3: X=0.11000000 Y=0.52000000 Z=0.20500000
O          NPT=  781  R0=.000100000 RMT=   2.00000   Z:   8.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000