# generated using pymatgen
data_TiFeN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.94337000
_cell_length_b   2.94542515
_cell_length_c   9.31508100
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.97692152
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiFeN2
_chemical_formula_sum   'Ti2 Fe2 N4'
_cell_volume   69.95376073
_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  0.66888600  0.33777100  0.25000000  1.0
  Ti  Ti1  1  0.33111400  0.66222900  0.75000000  1.0
  Fe  Fe2  1  0.00000000  0.00000000  0.00000000  1.0
  Fe  Fe3  1  0.00000000  0.00000000  0.50000000  1.0
  N  N4  1  0.66627800  0.33255800  0.88740800  1.0
  N  N5  1  0.33372200  0.66744200  0.11259200  1.0
  N  N6  1  0.33372200  0.66744200  0.38740800  1.0
  N  N7  1  0.66627800  0.33255800  0.61259200  1.0