# generated using pymatgen data_Ta2Se3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.42564383 _cell_length_b 6.62382263 _cell_length_c 9.27578397 _cell_angle_alpha 104.45283998 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ta2Se3 _chemical_formula_sum 'Ta4 Se6' _cell_volume 203.81465519 _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 Ta Ta0 1 0.25000000 0.11310352 0.63297809 1.0 Ta Ta1 1 0.75000000 0.88689648 0.36702191 1.0 Ta Ta2 1 0.25000000 0.32471343 0.00098772 1.0 Ta Ta3 1 0.75000000 0.67528657 0.99901228 1.0 Se Se4 1 0.25000000 0.72836065 0.51194436 1.0 Se Se5 1 0.75000000 0.27163935 0.48805564 1.0 Se Se6 1 0.25000000 0.96733398 0.15770394 1.0 Se Se7 1 0.75000000 0.03266602 0.84229606 1.0 Se Se8 1 0.75000000 0.47561913 0.20496169 1.0 Se Se9 1 0.25000000 0.52438087 0.79503831 1.0