# generated using pymatgen data_Ti(FeSe2)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.14146089 _cell_length_b 6.26907516 _cell_length_c 8.19403603 _cell_angle_alpha 137.19176716 _cell_angle_beta 92.18749363 _cell_angle_gamma 115.03792559 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti(FeSe2)2 _chemical_formula_sum 'Ti1 Fe2 Se4' _cell_volume 134.02497308 _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 0.30156800 0.04471900 0.43201900 1.0 Fe Fe1 1 0.32695800 0.58395000 0.91222300 1.0 Fe Fe2 1 0.75473000 0.92979400 0.60227800 1.0 Se Se3 1 0.80475700 0.53821100 0.91828700 1.0 Se Se4 1 0.31524300 0.61669300 0.64635000 1.0 Se Se5 1 0.72735300 0.35425400 0.37371800 1.0 Se Se6 1 0.26939100 0.43238000 0.11512400 1.0