B   LATTICE,NONEQUIV.ATOMS   4  139 I4/mmm                                     
MODE OF CALC=RELA unit=bohr                                                    
 14.535773 14.535773 21.413243 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.00000000 Z=0.16550000
          MULT= 2          ISPLIT=-2
      -1: X=0.00000000 Y=0.00000000 Z=0.83450000
Ca         NPT=  781  R0=.000050000 RMT= 2.50000     Z:  20.00000              
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=0.50000000 Z=0.25000000
          MULT= 2          ISPLIT=-2
      -2: X=0.00000000 Y=0.50000000 Z=0.75000000
Ca         NPT=  781  R0=.000050000 RMT= 2.50000     Z:  20.00000              
LOCAL ROT MATRIX:    0.7071068-0.7071068 0.0000000
                     0.7071068 0.7071068 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.33430000 Y=0.00000000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -3: X=0.66570000 Y=0.00000000 Z=0.00000000
      -3: X=0.00000000 Y=0.33430000 Z=0.00000000
      -3: X=0.00000000 Y=0.66570000 Z=0.00000000
Ge         NPT=  781  R0=.000050000 RMT= 2.39        Z:  32.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     0.0000000 1.0000000 0.0000000
                    -1.0000000 0.0000000 0.0000000
ATOM  -4: X=0.31649000 Y=0.31649000 Z=0.11470000
          MULT= 8          ISPLIT= 8
      -4: X=0.68351000 Y=0.68351000 Z=0.88530000
      -4: X=0.68351000 Y=0.31649000 Z=0.11470000
      -4: X=0.31649000 Y=0.68351000 Z=0.88530000
      -4: X=0.68351000 Y=0.68351000 Z=0.11470000
      -4: X=0.31649000 Y=0.31649000 Z=0.88530000
      -4: X=0.31649000 Y=0.68351000 Z=0.11470000
      -4: X=0.68351000 Y=0.31649000 Z=0.88530000
Ge         NPT=  781  R0=.000050000 RMT= 2.39        Z:  32.00000              
LOCAL ROT MATRIX:    0.0000000-0.7071068-0.7071068
                     0.0000000-0.7071068 0.7071068
                    -1.0000000 0.0000000 0.0000000