B   LATTICE,NONEQUIV.ATOMS   4  229 Im-3m                                      
MODE OF CALC=RELA unit=bohr                                                    
 16.584992 16.584992 16.584992 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.25000000 Y=0.00000000 Z=0.50000000
          MULT= 6          ISPLIT=-2
      -1: X=0.75000000 Y=0.00000000 Z=0.50000000
      -1: X=0.00000000 Y=0.25000000 Z=0.50000000
      -1: X=0.00000000 Y=0.75000000 Z=0.50000000
      -1: X=0.50000000 Y=0.00000000 Z=0.25000000
      -1: X=0.50000000 Y=0.00000000 Z=0.75000000
Pd         NPT=  781  R0=.000010000 RMT= 2.47        Z:  46.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     0.7071068-0.7071068 0.0000000
                     0.7071068 0.7071068 0.0000000
ATOM  -2: X=0.34880000 Y=0.00000000 Z=0.00000000
          MULT= 6          ISPLIT=-2
      -2: X=0.65120000 Y=0.00000000 Z=0.00000000
      -2: X=0.00000000 Y=0.34880000 Z=0.00000000
      -2: X=0.00000000 Y=0.65120000 Z=0.00000000
      -2: X=0.00000000 Y=0.00000000 Z=0.34880000
      -2: X=0.00000000 Y=0.00000000 Z=0.65120000
Ge         NPT=  781  R0=.000050000 RMT= 2.35        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   3: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 1          ISPLIT= 2
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  -4: X=0.25000000 Y=0.25000000 Z=0.25000000
          MULT= 4          ISPLIT= 4
      -4: X=0.75000000 Y=0.25000000 Z=0.25000000
      -4: X=0.75000000 Y=0.75000000 Z=0.25000000
      -4: X=0.25000000 Y=0.75000000 Z=0.25000000
Ca         NPT=  781  R0=.000050000 RMT= 2.50000     Z:  20.00000              
LOCAL ROT MATRIX:    0.4082483-0.7071068 0.5773503
                     0.4082483 0.7071068 0.5773503
                    -0.8164966 0.0000000 0.5773503