# generated using pymatgen
data_Ti2Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.93410719
_cell_length_b   7.93410719
_cell_length_c   7.93410719
_cell_angle_alpha   60.00000000
_cell_angle_beta   60.00000000
_cell_angle_gamma   60.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2Fe
_chemical_formula_sum   'Ti16 Fe8'
_cell_volume   353.16624960
_cell_formula_units_Z   8
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  0.12500000  0.62500000  0.62500000  1.0
  Ti  Ti1  1  0.62500000  0.12500000  0.62500000  1.0
  Ti  Ti2  1  0.62500000  0.62500000  0.12500000  1.0
  Ti  Ti3  1  0.62500000  0.62500000  0.62500000  1.0
  Ti  Ti4  1  0.81025200  0.81025200  0.18974800  1.0
  Ti  Ti5  1  0.18974800  0.18974800  0.81025200  1.0
  Ti  Ti6  1  0.81025200  0.18974800  0.81025200  1.0
  Ti  Ti7  1  0.18974800  0.81025200  0.18974800  1.0
  Ti  Ti8  1  0.18974800  0.81025200  0.81025200  1.0
  Ti  Ti9  1  0.81025200  0.18974800  0.18974800  1.0
  Ti  Ti10  1  0.43974800  0.43974800  0.06025200  1.0
  Ti  Ti11  1  0.06025200  0.06025200  0.43974800  1.0
  Ti  Ti12  1  0.43974800  0.06025200  0.43974800  1.0
  Ti  Ti13  1  0.06025200  0.43974800  0.06025200  1.0
  Ti  Ti14  1  0.06025200  0.43974800  0.43974800  1.0
  Ti  Ti15  1  0.43974800  0.06025200  0.06025200  1.0
  Fe  Fe16  1  0.76394200  0.41201900  0.41201900  1.0
  Fe  Fe17  1  0.41201900  0.76394200  0.41201900  1.0
  Fe  Fe18  1  0.41201900  0.41201900  0.76394200  1.0
  Fe  Fe19  1  0.41201900  0.41201900  0.41201900  1.0
  Fe  Fe20  1  0.48605800  0.83798100  0.83798100  1.0
  Fe  Fe21  1  0.83798100  0.48605800  0.83798100  1.0
  Fe  Fe22  1  0.83798100  0.83798100  0.48605800  1.0
  Fe  Fe23  1  0.83798100  0.83798100  0.83798100  1.0