Bravais lattice: Tetragonal body centred

     a             b            c
 3.20600000    3.20600000   7.84599999
     alpha         beta         gamma
 89.99999998    89.99999998   90.00000000


===== Decomposition of new basis vectors over input basis =====
-1.000000   0.000000  0.000000  <--- 1
 0.000000  -1.000000  0.000000  <--- 2
-1.000000  -1.000000  2.000000  <--- 3

==== Number of atoms in cell (only atoms of primitive cell): 3 
==== Atom positions (only atoms of primitive cell):

 0.00000000   0.00000000  0.66666700
 Si
 0.00000000   0.00000000  0.33333300
 Si

 0.00000000   0.00000000  0.00000000
 Mo

==== Number of nonequivalent sorts: 2
==== Nonequivalent atoms, point group for each sort: ====

Sort number: 1
  Names of point group: 4mm    4mm    C4v
  New basis vectors for this point group:
    1.0000   0.0000  0.0000  <--- 1
    0.0000   1.0000  0.0000  <--- 2
    0.0000   0.0000  1.0000  <--- 3

  Atom positions: 2
   0.00000000   0.00000000  0.66666700
   Si
   0.00000000   0.00000000  0.33333300
   Si

Sort number: 2
  Names of point group: 4/mmm   4/m 2/m 2/m    D4h
  New basis vectors for this point group:
    1.0000   0.0000  0.0000  <--- 1
    0.0000   1.0000  0.0000  <--- 2
    0.0000   0.0000  1.0000  <--- 3

  Atom positions: 1
   0.00000000   0.00000000  0.00000000
   Mo

======================================================================

Number and name of space group: 139 (I 4/m m m)
- Short - Full - Schoenflies - names of point group:
 4/mmm   4/m 2/m 2/m    D4h

Number of symmetry operations: 16
Operation: 1
 1.0   0.0   0.0  0.000
 0.0   1.0   0.0  0.000
 0.0   0.0   1.0  0.000

Operation: 2
-1.0   0.0   0.0  0.000
 0.0  -1.0   0.0  0.000
 0.0   0.0   1.0  0.000

Operation: 3
 0.0  -1.0   0.0  0.000
 1.0   0.0   0.0  0.000
 0.0   0.0   1.0  0.000

Operation: 4
 0.0   1.0   0.0  0.000
-1.0   0.0   0.0  0.000
 0.0   0.0   1.0  0.000

Operation: 5
-1.0   0.0   0.0  0.000
 0.0   1.0   0.0  0.000
 0.0   0.0  -1.0  0.000

Operation: 6
 1.0   0.0   0.0  0.000
 0.0  -1.0   0.0  0.000
 0.0   0.0  -1.0  0.000

Operation: 7
 0.0   1.0   0.0  0.000
 1.0   0.0   0.0  0.000
 0.0   0.0  -1.0  0.000

Operation: 8
 0.0  -1.0   0.0  0.000
-1.0   0.0   0.0  0.000
 0.0   0.0  -1.0  0.000

Operation: 9
-1.0   0.0   0.0  0.000
 0.0  -1.0   0.0  0.000
 0.0   0.0  -1.0  0.000

Operation: 10
 1.0   0.0   0.0  0.000
 0.0   1.0   0.0  0.000
 0.0   0.0  -1.0  0.000

Operation: 11
 0.0   1.0   0.0  0.000
-1.0   0.0   0.0  0.000
 0.0   0.0  -1.0  0.000

Operation: 12
 0.0  -1.0   0.0  0.000
 1.0   0.0   0.0  0.000
 0.0   0.0  -1.0  0.000

Operation: 13
 1.0   0.0   0.0  0.000
 0.0  -1.0   0.0  0.000
 0.0   0.0   1.0  0.000

Operation: 14
-1.0   0.0   0.0  0.000
 0.0   1.0   0.0  0.000
 0.0   0.0   1.0  0.000

Operation: 15
 0.0  -1.0   0.0  0.000
-1.0   0.0   0.0  0.000
 0.0   0.0   1.0  0.000

Operation: 16
 0.0   1.0   0.0  0.000
 1.0   0.0   0.0  0.000
 0.0   0.0   1.0  0.000

============================================================

===== Number of possible shift vectors: 2 =====
===== List of shift vectors:
 0.0000   0.0000   0.0000
 0.0000   0.0000   0.5000

List of shifted cells:

Cell #1 
  Shift vector:  0.0000   0.0000   0.5000
  Nonequivalent atoms :

 0.00000000   0.00000000  0.16666700
 Si
 0.00000000   0.00000000  0.83333300
 Si

 0.00000000   0.00000000  0.50000000
 Mo