B   LATTICE,NONEQUIV.ATOMS   3  204 Im-3    
MODE OF CALC=RELA unit=bohr
 16.238606 16.238606 16.238606 90.000000 90.000000 90.000000
ATOM  -1: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 1          ISPLIT=15
Th         NPT=  781  R0=.000005000 RMT=   2.00000   Z:  90.00000
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=0.25000000 Z=0.25000000
          MULT= 4          ISPLIT=15
      -2: X=0.75000000 Y=0.75000000 Z=0.25000000
      -2: X=0.25000000 Y=0.75000000 Z=0.75000000
      -2: X=0.75000000 Y=0.25000000 Z=0.75000000
Pt         NPT=  781  R0=.000005000 RMT=   2.00000   Z:  78.00000
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=0.15150000 Z=0.35560000
          MULT=12          ISPLIT=15
      -3: X=0.00000000 Y=0.84850000 Z=0.64440000
      -3: X=0.00000000 Y=0.84850000 Z=0.35560000
      -3: X=0.00000000 Y=0.15150000 Z=0.64440000
      -3: X=0.35560000 Y=0.00000000 Z=0.15150000
      -3: X=0.64440000 Y=0.00000000 Z=0.84850000
      -3: X=0.64440000 Y=0.00000000 Z=0.15150000
      -3: X=0.35560000 Y=0.00000000 Z=0.84850000
      -3: X=0.15150000 Y=0.35560000 Z=0.00000000
      -3: X=0.84850000 Y=0.64440000 Z=0.00000000
      -3: X=0.15150000 Y=0.64440000 Z=0.00000000
      -3: X=0.84850000 Y=0.35560000 Z=0.00000000
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