# generated using pymatgen
data_TiFe4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.52382129
_cell_length_b   2.52382129
_cell_length_c   9.60478094
_cell_angle_alpha   82.42201500
_cell_angle_beta   82.42201500
_cell_angle_gamma   89.78547227
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiFe4
_chemical_formula_sum   'Ti1 Fe4'
_cell_volume   60.10954522
_cell_formula_units_Z   1
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  0.00000000  0.00000000  0.00000000  1.0
  Fe  Fe1  1  0.39090800  0.39090800  0.21818300  1.0
  Fe  Fe2  1  0.79975300  0.79975300  0.40049500  1.0
  Fe  Fe3  1  0.20024700  0.20024700  0.59950500  1.0
  Fe  Fe4  1  0.60909200  0.60909200  0.78181700  1.0