# generated using pymatgen
data_Nb5N6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.25040736
_cell_length_b   5.25040612
_cell_length_c   10.48676556
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999495
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb5N6
_chemical_formula_sum   'Nb10 N12'
_cell_volume   250.35606148
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Nb  Nb0  1  0.33333300  0.66666700  0.50000000  1.0
  Nb  Nb1  1  0.66666700  0.33333300  -0.00000000  1.0
  Nb  Nb2  1  0.66666700  0.33333300  0.50000000  1.0
  Nb  Nb3  1  0.33333300  0.66666700  -0.00000000  1.0
  Nb  Nb4  1  0.67583928  0.00000000  0.75000000  1.0
  Nb  Nb5  1  0.67583928  0.67583928  0.25000000  1.0
  Nb  Nb6  1  0.00000000  0.32416072  0.25000000  1.0
  Nb  Nb7  1  -0.00000000  0.67583928  0.75000000  1.0
  Nb  Nb8  1  0.32416072  0.32416072  0.75000000  1.0
  Nb  Nb9  1  0.32416072  -0.00000000  0.25000000  1.0
  N  N10  1  0.34086608  0.34086608  0.37790654  1.0
  N  N11  1  0.65913392  -0.00000000  0.37790654  1.0
  N  N12  1  0.00000000  0.65913392  0.37790654  1.0
  N  N13  1  -0.00000000  0.34086608  0.87790554  1.0
  N  N14  1  0.65913392  -0.00000000  0.12209346  1.0
  N  N15  1  0.65913392  0.65913392  0.87790554  1.0
  N  N16  1  0.34086608  0.00000000  0.87790554  1.0
  N  N17  1  0.65913392  0.65913392  0.62209446  1.0
  N  N18  1  -0.00000000  0.34086608  0.62209446  1.0
  N  N19  1  0.00000000  0.65913392  0.12209346  1.0
  N  N20  1  0.34086608  0.00000000  0.62209446  1.0
  N  N21  1  0.34086608  0.34086608  0.12209346  1.0