P   LATTICE,NONEQUIV.ATOMS   5  223 Pm-3n                                      
MODE OF CALC=RELA unit=bohr                                                    
 19.416936 19.416936 19.416936 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
Na         NPT=  781  R0=.000100000 RMT= 2.50000     Z:  11.00000              
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
Si         NPT=  781  R0=.000100000 RMT= 2.21        Z:  14.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     0.7071068-0.7071068 0.0000000
                     0.7071068 0.7071068 0.0000000
ATOM  -4: X=0.18390000 Y=0.18390000 Z=0.18390000
          MULT=16          ISPLIT= 4
      -4: X=0.81610000 Y=0.81610000 Z=0.81610000
      -4: X=0.31610000 Y=0.68390000 Z=0.68390000
      -4: X=0.68390000 Y=0.31610000 Z=0.31610000
      -4: X=0.18390000 Y=0.81610000 Z=0.81610000
      -4: X=0.81610000 Y=0.18390000 Z=0.18390000
      -4: X=0.81610000 Y=0.81610000 Z=0.18390000
      -4: X=0.18390000 Y=0.18390000 Z=0.81610000
      -4: X=0.68390000 Y=0.68390000 Z=0.31610000
      -4: X=0.31610000 Y=0.31610000 Z=0.68390000
      -4: X=0.68390000 Y=0.31610000 Z=0.68390000
      -4: X=0.31610000 Y=0.68390000 Z=0.31610000
      -4: X=0.81610000 Y=0.18390000 Z=0.81610000
      -4: X=0.18390000 Y=0.81610000 Z=0.18390000
      -4: X=0.31610000 Y=0.31610000 Z=0.31610000
      -4: X=0.68390000 Y=0.68390000 Z=0.68390000
Si         NPT=  781  R0=.000100000 RMT= 2.21        Z:  14.00000              
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=0.12080000 Z=0.30540000
          MULT=24          ISPLIT= 8
      -5: X=0.00000000 Y=0.87920000 Z=0.69460000
      -5: X=0.37920000 Y=0.50000000 Z=0.80540000
      -5: X=0.62080000 Y=0.50000000 Z=0.19460000
      -5: X=0.30540000 Y=0.00000000 Z=0.12080000
      -5: X=0.69460000 Y=0.00000000 Z=0.87920000
      -5: X=0.00000000 Y=0.87920000 Z=0.30540000
      -5: X=0.00000000 Y=0.12080000 Z=0.69460000
      -5: X=0.50000000 Y=0.80540000 Z=0.62080000
      -5: X=0.50000000 Y=0.19460000 Z=0.37920000
      -5: X=0.62080000 Y=0.50000000 Z=0.80540000
      -5: X=0.37920000 Y=0.50000000 Z=0.19460000
      -5: X=0.69460000 Y=0.00000000 Z=0.12080000
      -5: X=0.30540000 Y=0.00000000 Z=0.87920000
      -5: X=0.50000000 Y=0.19460000 Z=0.62080000
      -5: X=0.50000000 Y=0.80540000 Z=0.37920000
      -5: X=0.80540000 Y=0.37920000 Z=0.50000000
      -5: X=0.19460000 Y=0.62080000 Z=0.50000000
      -5: X=0.12080000 Y=0.30540000 Z=0.00000000
      -5: X=0.87920000 Y=0.69460000 Z=0.00000000
      -5: X=0.80540000 Y=0.62080000 Z=0.50000000
      -5: X=0.19460000 Y=0.37920000 Z=0.50000000
      -5: X=0.87920000 Y=0.30540000 Z=0.00000000
      -5: X=0.12080000 Y=0.69460000 Z=0.00000000
Si         NPT=  781  R0=.000100000 RMT= 2.21        Z:  14.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000