# generated using pymatgen
data_Ti(FeSe2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.01459418
_cell_length_b   3.45652969
_cell_length_c   6.15435183
_cell_angle_alpha   90.00000000
_cell_angle_beta   116.54375817
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti(FeSe2)2
_chemical_formula_sum   'Ti2 Fe4 Se8'
_cell_volume   247.67313277
_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  0.25367200  0.00000000  0.30881400  1
  Ti  Ti1  1  0.75367200  0.50000000  0.30881400  1
  Fe  Fe2  1  0.00130200  0.00000000  0.00291900  1
  Fe  Fe3  1  0.50130200  0.50000000  0.00291900  1
  Fe  Fe4  1  0.24397600  0.50000000  0.69263700  1
  Fe  Fe5  1  0.74397600  0.00000000  0.69263700  1
  Se  Se6  1  0.10898800  0.00000000  0.45830200  1
  Se  Se7  1  0.60898800  0.50000000  0.45830200  1
  Se  Se8  1  0.13886200  0.50000000  0.96332900  1
  Se  Se9  1  0.63886200  0.00000000  0.96332900  1
  Se  Se10  1  0.36059400  0.00000000  0.01329900  1
  Se  Se11  1  0.86059400  0.50000000  0.01329900  1
  Se  Se12  1  0.39260600  0.50000000  0.56069900  1
  Se  Se13  1  0.89260600  0.00000000  0.56069900  1
