# generated using pymatgen
data_TaNbN
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.31614314
_cell_length_b   5.31614273
_cell_length_c   4.97416470
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000879
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaNbN
_chemical_formula_sum   'Ta3 Nb3 N3'
_cell_volume   121.74301508
_cell_formula_units_Z   3
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
  Ta  Ta0  1  0.33408726  0.33408726  0.24748238  1.0
  Ta  Ta1  1  1.00000000  0.66591274  0.24748238  1.0
  Ta  Ta2  1  0.66591274  1.00000000  0.24748238  1.0
  Nb  Nb3  1  0.66538467  0.66538467  0.75461860  1.0
  Nb  Nb4  1  0.00000000  0.33461533  0.75461860  1.0
  Nb  Nb5  1  0.33461533  0.00000000  0.75461860  1.0
  N  N6  1  0.66666700  0.33333300  0.49431222  1.0
  N  N7  1  0.33333300  0.66666700  0.49431222  1.0
  N  N8  1  0.00000000  0.00000000  0.00507264  1.0