# generated using pymatgen
data_TiFeN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.78347756
_cell_length_b   4.11526058
_cell_length_c   6.87487317
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiFeN2
_chemical_formula_sum   'Ti4 Fe4 N8'
_cell_volume   163.62553725
_cell_formula_units_Z   4
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  0.75000000  0.61465000  0.62201500  1
  Ti  Ti1  1  0.25000000  0.38535000  0.37798500  1
  Ti  Ti2  1  0.25000000  0.88535000  0.12201500  1
  Ti  Ti3  1  0.75000000  0.11465000  0.87798500  1
  Fe  Fe4  1  0.75000000  0.56356500  0.15593900  1
  Fe  Fe5  1  0.25000000  0.43643500  0.84406100  1
  Fe  Fe6  1  0.25000000  0.93643500  0.65593900  1
  Fe  Fe7  1  0.75000000  0.06356500  0.34406100  1
  N  N8  1  0.25000000  0.60671700  0.60593500  1
  N  N9  1  0.75000000  0.39328300  0.39406500  1
  N  N10  1  0.75000000  0.89328300  0.10593500  1
  N  N11  1  0.25000000  0.10671700  0.89406500  1
  N  N12  1  0.25000000  0.53999400  0.11835500  1
  N  N13  1  0.75000000  0.46000600  0.88164500  1
  N  N14  1  0.75000000  0.96000600  0.61835500  1
  N  N15  1  0.25000000  0.03999400  0.38164500  1
