Bravais lattice: Tetragonal body centred

     a             b            c
 3.32500000    3.32500000   11.37999999
     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): 4 
==== Atom positions (only atoms of primitive cell):

 0.50000000   0.25000000  0.12500000
 Nb
 0.00000000   0.25000000  0.37500000
 Nb

 0.50000000   0.75000000  0.37500000
 P
 0.50000000   0.25000000  0.62500000
 P

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

Sort number: 1
  Names of point group: -4m2   -4m2   D2d
  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
   0.50000000   0.25000000  0.12500000
   Nb
   0.00000000   0.25000000  0.37500000
   Nb

Sort number: 2
  Names of point group: -4m2   -4m2   D2d
  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
   0.50000000   0.75000000  0.37500000
   P
   0.50000000   0.25000000  0.62500000
   P

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

Number and name of space group: 141 (I 41/a m d) [origin choice 2]
- 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  0.500
 0.0  -1.0   0.0  0.000
 0.0   0.0   1.0  0.500

Operation: 3
 0.0  -1.0   0.0  0.250
 1.0   0.0   0.0  0.750
 0.0   0.0   1.0  0.250

Operation: 4
 0.0   1.0   0.0  0.250
-1.0   0.0   0.0  0.250
 0.0   0.0   1.0  0.750

Operation: 5
-1.0   0.0   0.0  0.500
 0.0   1.0   0.0  0.000
 0.0   0.0  -1.0  0.500

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  0.250
 1.0   0.0   0.0  0.750
 0.0   0.0  -1.0  0.250

Operation: 8
 0.0  -1.0   0.0  0.250
-1.0   0.0   0.0  0.250
 0.0   0.0  -1.0  0.750

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  0.500
 0.0   1.0   0.0  0.000
 0.0   0.0  -1.0  0.500

Operation: 11
 0.0   1.0   0.0  0.750
-1.0   0.0   0.0  0.250
 0.0   0.0  -1.0  0.750

Operation: 12
 0.0  -1.0   0.0  0.750
 1.0   0.0   0.0  0.750
 0.0   0.0  -1.0  0.250

Operation: 13
 1.0   0.0   0.0  0.500
 0.0  -1.0   0.0  0.000
 0.0   0.0   1.0  0.500

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  0.750
-1.0   0.0   0.0  0.250
 0.0   0.0   1.0  0.750

Operation: 16
 0.0   1.0   0.0  0.750
 1.0   0.0   0.0  0.750
 0.0   0.0   1.0  0.250

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

===== 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 :

 0.50000000   0.25000000  0.62500000
 Nb
 0.00000000   0.25000000  0.87500000
 Nb

 0.50000000   0.75000000  0.87500000
 P
 0.50000000   0.25000000  0.12500000
 P