Bravais lattice: Tetragonal primitive

     a             b            c
 4.97800000    4.97800000   6.94800000
     alpha         beta         gamma
 90.00000000    90.00000000   90.00000000


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

==== Number of atoms in cell: 12
==== Atom positions:

 0.30004000   0.30004000  0.50000000
 Si
 0.69996000   0.69996000  0.00000000
 Si
 0.19996000   0.80004000  0.75000000
 Si
 0.80004000   0.19996000  0.25000000
 Si

 0.39676000   0.73976000  0.92844000
 O
 0.60324000   0.26024000  0.42844000
 O
 0.76024000   0.89676000  0.17844000
 O
 0.23976000   0.10324000  0.67844000
 O
 0.10324000   0.23976000  0.32156000
 O
 0.89676000   0.76024000  0.82156000
 O
 0.73976000   0.39676000  0.07156000
 O
 0.26024000   0.60324000  0.57156000
 O

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

Sort number: 1
  Names of point group: 2      2      C2
  New basis vectors for this point group:
    0.0000   0.0000  1.0000  <--- 1
    1.0000  -1.0000  0.0000  <--- 2
    1.0000   1.0000  0.0000  <--- 3

  Atom positions: 4
   0.30004000   0.30004000  0.50000000
   Si
   0.69996000   0.69996000  0.00000000
   Si
   0.19996000   0.80004000  0.75000000
   Si
   0.80004000   0.19996000  0.25000000
   Si

Sort number: 2
  Names of point group: 1      1      C1
  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: 8
   0.39676000   0.73976000  0.92844000
   O
   0.60324000   0.26024000  0.42844000
   O
   0.76024000   0.89676000  0.17844000
   O
   0.23976000   0.10324000  0.67844000
   O
   0.10324000   0.23976000  0.32156000
   O
   0.89676000   0.76024000  0.82156000
   O
   0.73976000   0.39676000  0.07156000
   O
   0.26024000   0.60324000  0.57156000
   O

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

Number and name of space group: 92 (P 41 21 2)
- Short - Full - Schoenflies - names of point group:
 422    422    D4

Number of symmetry operations: 8
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  0.500

Operation: 3
 0.0  -1.0   0.0  0.500
 1.0   0.0   0.0  0.500
 0.0   0.0   1.0  0.250

Operation: 4
 0.0   1.0   0.0  0.500
-1.0   0.0   0.0  0.500
 0.0   0.0   1.0  0.750

Operation: 5
-1.0   0.0   0.0  0.500
 0.0   1.0   0.0  0.500
 0.0   0.0  -1.0  0.250

Operation: 6
 1.0   0.0   0.0  0.500
 0.0  -1.0   0.0  0.500
 0.0   0.0  -1.0  0.750

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  0.500

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

===== Number of possible shift vectors: 4 =====
===== List of shift vectors:
 0.0000   0.0000   0.0000
 0.0000   0.0000   0.5000
 0.5000   0.5000   0.0000
 0.5000   0.5000   0.5000

List of shifted cells:

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

 0.30004000   0.30004000  0.00000000
 Si
 0.69996000   0.69996000  0.50000000
 Si
 0.19996000   0.80004000  0.25000000
 Si
 0.80004000   0.19996000  0.75000000
 Si

 0.39676000   0.73976000  0.42844000
 O
 0.60324000   0.26024000  0.92844000
 O
 0.76024000   0.89676000  0.67844000
 O
 0.23976000   0.10324000  0.17844000
 O
 0.10324000   0.23976000  0.82156000
 O
 0.89676000   0.76024000  0.32156000
 O
 0.73976000   0.39676000  0.57156000
 O
 0.26024000   0.60324000  0.07156000
 O

Cell #2 
  Shift vector:  0.5000   0.5000   0.0000
  Nonequivalent atoms :

 0.80004000   0.80004000  0.50000000
 Si
 0.19996000   0.19996000  0.00000000
 Si
 0.69996000   0.30004000  0.75000000
 Si
 0.30004000   0.69996000  0.25000000
 Si

 0.89676000   0.23976000  0.92844000
 O
 0.10324000   0.76024000  0.42844000
 O
 0.26024000   0.39676000  0.17844000
 O
 0.73976000   0.60324000  0.67844000
 O
 0.60324000   0.73976000  0.32156000
 O
 0.39676000   0.26024000  0.82156000
 O
 0.23976000   0.89676000  0.07156000
 O
 0.76024000   0.10324000  0.57156000
 O

Cell #3 
  Shift vector:  0.5000   0.5000   0.5000
  Nonequivalent atoms :

 0.80004000   0.80004000  0.00000000
 Si
 0.19996000   0.19996000  0.50000000
 Si
 0.69996000   0.30004000  0.25000000
 Si
 0.30004000   0.69996000  0.75000000
 Si

 0.89676000   0.23976000  0.42844000
 O
 0.10324000   0.76024000  0.92844000
 O
 0.26024000   0.39676000  0.67844000
 O
 0.73976000   0.60324000  0.17844000
 O
 0.60324000   0.73976000  0.82156000
 O
 0.39676000   0.26024000  0.32156000
 O
 0.23976000   0.89676000  0.57156000
 O
 0.76024000   0.10324000  0.07156000
 O