# generated using pymatgen
data_Ti4Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.28689470
_cell_length_b   4.58992962
_cell_length_c   21.02414017
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti4Fe
_chemical_formula_sum   'Ti16 Fe4'
_cell_volume   317.18311563
_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  0.50000000  0.00000000  0.91697800  1
  Ti  Ti1  1  0.00000000  0.00000000  0.80343500  1
  Ti  Ti2  1  0.50000000  0.00000000  0.69656500  1
  Ti  Ti3  1  0.00000000  0.00000000  0.58302200  1
  Ti  Ti4  1  0.50000000  0.50000000  0.41697800  1
  Ti  Ti5  1  0.00000000  0.50000000  0.30343500  1
  Ti  Ti6  1  0.50000000  0.50000000  0.19656500  1
  Ti  Ti7  1  0.00000000  0.50000000  0.08302200  1
  Ti  Ti8  1  0.00000000  0.00000000  0.41697800  1
  Ti  Ti9  1  0.50000000  0.00000000  0.30343500  1
  Ti  Ti10  1  0.00000000  0.00000000  0.19656500  1
  Ti  Ti11  1  0.50000000  0.00000000  0.08302200  1
  Ti  Ti12  1  0.00000000  0.50000000  0.91697800  1
  Ti  Ti13  1  0.50000000  0.50000000  0.80343500  1
  Ti  Ti14  1  0.00000000  0.50000000  0.69656500  1
  Ti  Ti15  1  0.50000000  0.50000000  0.58302200  1
  Fe  Fe16  1  0.00000000  0.00000000  0.00000000  1
  Fe  Fe17  1  0.00000000  0.50000000  0.50000000  1
  Fe  Fe18  1  0.50000000  0.00000000  0.50000000  1
  Fe  Fe19  1  0.50000000  0.50000000  0.00000000  1
