# generated using pymatgen data_CaTb2Se3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.10781369 _cell_length_b 4.10781385 _cell_length_c 10.10168056 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999874 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaTb2Se3 _chemical_formula_sum 'Ca1 Tb2 Se3' _cell_volume 147.62019049 _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 Ca Ca0 1 0.00000000 0.00000000 0.00000000 1.0 Tb Tb1 1 0.33333300 0.66666700 0.65628384 1.0 Tb Tb2 1 0.66666700 0.33333300 0.34371616 1.0 Se Se3 1 0.33333300 0.66666700 0.17065274 1.0 Se Se4 1 0.66666700 0.33333300 0.82934726 1.0 Se Se5 1 0.00000000 0.00000000 0.50000000 1.0