# generated using pymatgen
data_TaN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.45762738
_cell_length_b   5.45762769
_cell_length_c   2.78184721
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99995283
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaN2
_chemical_formula_sum   'Ta2 N4'
_cell_volume   71.75825982
_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
  Ta  Ta0  1  0.66666670  0.33333333  0.50000000  1.0
  Ta  Ta1  1  0.33333330  0.66666667  0.50000000  1.0
  N  N2  1  0.00000000  0.00000000  0.00000000  1.0
  N  N3  1  0.50000000  0.50000000  0.00000000  1.0
  N  N4  1  0.50000000  0.00000000  0.00000000  1.0
  N  N5  1  0.00000000  0.50000000  0.00000000  1.0