# generated using pymatgen
data_TiN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.06678955
_cell_length_b   4.06678955
_cell_length_c   4.06678955
_cell_angle_alpha   115.36807986
_cell_angle_beta   115.36807986
_cell_angle_gamma   98.22937613
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiN2
_chemical_formula_sum   'Ti2 N4'
_cell_volume   50.32618346
_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
  Ti  Ti0  1  0.25000000  0.25000000  0.00000000  1.0
  Ti  Ti1  1  0.75000000  0.75000000  0.00000000  1.0
  N  N2  1  0.11251700  0.38748300  0.50000000  1.0
  N  N3  1  0.88748300  0.61251700  0.50000000  1.0
  N  N4  1  0.61251700  0.11251700  0.72503500  1.0
  N  N5  1  0.38748300  0.88748300  0.27496500  1.0