FeSe                                                        
P   LATTICE,NONEQUIV.ATOMS:  2 129 P4/nmm
MODE OF CALC=RELA unit=ang 
  7.128806  7.128806 10.434505 90.000000 90.000000 90.000000
ATOM   1: X=0.25000000 Y=0.75000000 Z=0.00000000
          MULT= 2          ISPLIT= 8
       1: X=0.75000000 Y=0.25000000 Z=0.00000000
Fe1        NPT=  781  R0=0.00010000 RMT=    2.3800   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=0.25000000 Y=0.25000000 Z=0.26730000
          MULT= 2          ISPLIT= 8
       2: X=0.75000000 Y=0.75000000 Z=0.73270000
Se1        NPT=  781  R0=0.00010000 RMT=    2.1100   Z: 34.0
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
  16      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 0.50000000
 0 0 1 0.00000000
       2
 0-1 0 0.50000000
 1 0 0 0.00000000
 0 0 1 0.00000000
       3
 0 1 0 0.00000000
-1 0 0 0.50000000
 0 0 1 0.00000000
       4
-1 0 0 0.00000000
 0 1 0 0.50000000
 0 0-1 0.00000000
       5
 1 0 0 0.50000000
 0-1 0 0.00000000
 0 0-1 0.00000000
       6
 0 1 0 0.50000000
 1 0 0 0.50000000
 0 0-1 0.00000000
       7
 0-1 0 0.00000000
-1 0 0 0.00000000
 0 0-1 0.00000000
       8
-1 0 0 0.00000000
 0-1 0 0.00000000
 0 0-1 0.00000000
       9
 1 0 0 0.50000000
 0 1 0 0.50000000
 0 0-1 0.00000000
      10
 0 1 0 0.50000000
-1 0 0 0.00000000
 0 0-1 0.00000000
      11
 0-1 0 0.00000000
 1 0 0 0.50000000
 0 0-1 0.00000000
      12
 1 0 0 0.00000000
 0-1 0 0.50000000
 0 0 1 0.00000000
      13
-1 0 0 0.50000000
 0 1 0 0.00000000
 0 0 1 0.00000000
      14
 0-1 0 0.50000000
-1 0 0 0.50000000
 0 0 1 0.00000000
      15
 0 1 0 0.00000000
 1 0 0 0.00000000
 0 0 1 0.00000000
      16