P   LATTICE,NONEQUIV.ATOMS   5  223 Pm-3n                                      
MODE OF CALC=RELA unit=bohr                                                    
 20.373137 20.373137 20.373137 90.000000 90.000000 90.000000                   
ATOM   1: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 2          ISPLIT= 2
       1: X=0.50000000 Y=0.50000000 Z=0.50000000
Ba         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  56.00000              
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=0.00000000 Z=0.50000000
          MULT= 6          ISPLIT=-2
      -2: X=0.75000000 Y=0.00000000 Z=0.50000000
      -2: X=0.50000000 Y=0.75000000 Z=0.00000000
      -2: X=0.50000000 Y=0.25000000 Z=0.00000000
      -2: X=0.00000000 Y=0.50000000 Z=0.75000000
      -2: X=0.00000000 Y=0.50000000 Z=0.25000000
Ba         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  56.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     0.7071068-0.7071068 0.0000000
                     0.7071068 0.7071068 0.0000000
ATOM  -3: X=0.25000000 Y=0.50000000 Z=0.00000000
          MULT= 6          ISPLIT=-2
      -3: X=0.75000000 Y=0.50000000 Z=0.00000000
      -3: X=0.00000000 Y=0.75000000 Z=0.50000000
      -3: X=0.00000000 Y=0.25000000 Z=0.50000000
      -3: X=0.50000000 Y=0.00000000 Z=0.75000000
      -3: X=0.50000000 Y=0.00000000 Z=0.25000000
Pd         NPT=  781  R0=.000010000 RMT= 2.37        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  -4: X=0.18350000 Y=0.18350000 Z=0.18350000
          MULT=16          ISPLIT= 4
      -4: X=0.81650000 Y=0.81650000 Z=0.81650000
      -4: X=0.31650000 Y=0.68350000 Z=0.68350000
      -4: X=0.68350000 Y=0.31650000 Z=0.31650000
      -4: X=0.18350000 Y=0.81650000 Z=0.81650000
      -4: X=0.81650000 Y=0.18350000 Z=0.18350000
      -4: X=0.81650000 Y=0.81650000 Z=0.18350000
      -4: X=0.18350000 Y=0.18350000 Z=0.81650000
      -4: X=0.68350000 Y=0.68350000 Z=0.31650000
      -4: X=0.31650000 Y=0.31650000 Z=0.68350000
      -4: X=0.68350000 Y=0.31650000 Z=0.68350000
      -4: X=0.31650000 Y=0.68350000 Z=0.31650000
      -4: X=0.81650000 Y=0.18350000 Z=0.81650000
      -4: X=0.18350000 Y=0.81650000 Z=0.18350000
      -4: X=0.31650000 Y=0.31650000 Z=0.31650000
      -4: X=0.68350000 Y=0.68350000 Z=0.68350000
Ge         NPT=  781  R0=.000050000 RMT= 2.26        Z:  32.00000              
LOCAL ROT MATRIX:    0.7071068 0.4082483 0.5773503
                    -0.7071068 0.4082483 0.5773503
                     0.0000000-0.8164966 0.5773503
ATOM  -5: X=0.00000000 Y=0.11970000 Z=0.31230000
          MULT=24          ISPLIT= 8
      -5: X=0.00000000 Y=0.88030000 Z=0.68770000
      -5: X=0.38030000 Y=0.50000000 Z=0.81230000
      -5: X=0.61970000 Y=0.50000000 Z=0.18770000
      -5: X=0.31230000 Y=0.00000000 Z=0.11970000
      -5: X=0.68770000 Y=0.00000000 Z=0.88030000
      -5: X=0.00000000 Y=0.88030000 Z=0.31230000
      -5: X=0.00000000 Y=0.11970000 Z=0.68770000
      -5: X=0.50000000 Y=0.81230000 Z=0.61970000
      -5: X=0.50000000 Y=0.18770000 Z=0.38030000
      -5: X=0.61970000 Y=0.50000000 Z=0.81230000
      -5: X=0.38030000 Y=0.50000000 Z=0.18770000
      -5: X=0.68770000 Y=0.00000000 Z=0.11970000
      -5: X=0.31230000 Y=0.00000000 Z=0.88030000
      -5: X=0.50000000 Y=0.18770000 Z=0.61970000
      -5: X=0.50000000 Y=0.81230000 Z=0.38030000
      -5: X=0.81230000 Y=0.38030000 Z=0.50000000
      -5: X=0.18770000 Y=0.61970000 Z=0.50000000
      -5: X=0.11970000 Y=0.31230000 Z=0.00000000
      -5: X=0.88030000 Y=0.68770000 Z=0.00000000
      -5: X=0.81230000 Y=0.61970000 Z=0.50000000
      -5: X=0.18770000 Y=0.38030000 Z=0.50000000
      -5: X=0.88030000 Y=0.31230000 Z=0.00000000
      -5: X=0.11970000 Y=0.68770000 Z=0.00000000
Ge         NPT=  781  R0=.000050000 RMT= 2.26        Z:  32.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000