# generated using pymatgen
data_Ti2N
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.13742523
_cell_length_b   4.13742556
_cell_length_c   5.30660893
_cell_angle_alpha   112.94437183
_cell_angle_beta   112.94438165
_cell_angle_gamma   89.99999368
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2N
_chemical_formula_sum   'Ti4 N2'
_cell_volume   75.78771813
_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  0.85682601  0.60682601  0.71365301  1.0
  Ti  Ti1  1  0.60682601  0.85682601  0.21365401  1.0
  Ti  Ti2  1  0.39317399  0.14317399  0.78634699  1.0
  Ti  Ti3  1  0.14317399  0.39317399  0.28634599  1.0
  N  N4  1  0.62500000  0.37500000  0.25000000  1.0
  N  N5  1  0.37500000  0.62500000  0.75000000  1.0