FeSi                                                                           
P   LATTICE,NONEQUIV.ATOMS:  2 198 P213
MODE OF CALC=RELA unit=ang                                                     
  8.490540  8.490540  8.490540 90.000000 90.000000 90.000000
ATOM   1: X=0.13580000 Y=0.13580000 Z=0.13580000
          MULT= 4          ISPLIT= 4
       1: X=0.36420000 Y=0.86420000 Z=0.63580000
       1: X=0.86420000 Y=0.63580000 Z=0.36420000
       1: X=0.63580000 Y=0.36420000 Z=0.86420000
Fe1        NPT=  781  R0=0.00010000 RMT=   2.26      Z: 26.0
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM   2: X=0.84400000 Y=0.84400000 Z=0.84400000
          MULT= 4          ISPLIT= 4
       2: X=0.65600000 Y=0.15600000 Z=0.34400000
       2: X=0.15600000 Y=0.34400000 Z=0.65600000
       2: X=0.34400000 Y=0.65600000 Z=0.15600000
Si1        NPT=  781  R0=0.00010000 RMT=   2.00      Z: 14.0
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
  12      NUMBER OF SYMMETRY OPERATIONS
 1 0 0 0.00000000
 0 1 0 0.00000000
 0 0 1 0.00000000
       1
-1 0 0 0.50000000
 0-1 0 0.00000000
 0 0 1 0.50000000
       2
-1 0 0 0.00000000
 0 1 0 0.50000000
 0 0-1 0.50000000
       3
 1 0 0 0.50000000
 0-1 0 0.50000000
 0 0-1 0.00000000
       4
 0 0 1 0.00000000
 1 0 0 0.00000000
 0 1 0 0.00000000
       5
 0 0 1 0.50000000
-1 0 0 0.50000000
 0-1 0 0.00000000
       6
 0 0-1 0.50000000
-1 0 0 0.00000000
 0 1 0 0.50000000
       7
 0 0-1 0.00000000
 1 0 0 0.50000000
 0-1 0 0.50000000
       8
 0 1 0 0.00000000
 0 0 1 0.00000000
 1 0 0 0.00000000
       9
 0-1 0 0.00000000
 0 0 1 0.50000000
-1 0 0 0.50000000
      10
 0 1 0 0.50000000
 0 0-1 0.50000000
-1 0 0 0.00000000
      11
 0-1 0 0.50000000
 0 0-1 0.00000000
 1 0 0 0.50000000
      12