# generated using pymatgen data_Ti(FeSe2)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.73289048 _cell_length_b 6.73289048 _cell_length_c 6.15435179 _cell_angle_alpha 64.41129878 _cell_angle_beta 64.41129878 _cell_angle_gamma 29.74748583 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti(FeSe2)2 _chemical_formula_sum 'Ti1 Fe2 Se4' _cell_volume 123.83657378 _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 0.25367200 0.25367200 0.69118600 1.0 Fe Fe1 1 0.00130200 0.00130200 0.99708100 1.0 Fe Fe2 1 0.74397600 0.74397600 0.30736300 1.0 Se Se3 1 0.63886200 0.63886200 0.03667100 1.0 Se Se4 1 0.36059400 0.36059400 0.98670100 1.0 Se Se5 1 0.89260600 0.89260600 0.43930100 1.0 Se Se6 1 0.10898800 0.10898800 0.54169800 1.0