B   LATTICE,NONEQUIV.ATOMS   4  121 I-42m                                      
MODE OF CALC=RELA unit=bohr                                                    
 12.325550 12.325550 14.664842 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.00000000 Z=0.50000000
          MULT= 1          ISPLIT=-2
Pb         NPT=  781  R0=.000005000 RMT= 2.50000     Z:  82.00000              
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=0.00000000 Z=0.00000000
          MULT= 1          ISPLIT=-2
Ge         NPT=  781  R0=.000050000 RMT= 2.23        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  -3: X=0.19700000 Y=0.19700000 Z=0.16240000
          MULT= 4          ISPLIT= 8
      -3: X=0.19700000 Y=0.80300000 Z=0.83760000
      -3: X=0.80300000 Y=0.80300000 Z=0.16240000
      -3: X=0.80300000 Y=0.19700000 Z=0.83760000
S          NPT=  781  R0=.000100000 RMT= 1.92        Z:  16.00000              
LOCAL ROT MATRIX:    0.0000000-0.7071068-0.7071068
                     0.0000000-0.7071068 0.7071068
                    -1.0000000 0.0000000 0.0000000
ATOM  -4: X=0.00000000 Y=0.50000000 Z=0.25000000
          MULT= 2          ISPLIT=-2
      -4: X=0.00000000 Y=0.50000000 Z=0.75000000
Li         NPT=  781  R0=.000100000 RMT= 2.13        Z:   3.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000