# generated using pymatgen data_Tb3AlC3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.57670954 _cell_length_b 7.08684549 _cell_length_c 10.00321686 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tb3AlC3 _chemical_formula_sum 'Tb6 Al2 C6' _cell_volume 253.55741844 _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 Tb Tb0 1 0.50000000 0.50928940 0.19917273 1.0 Tb Tb1 1 0.50000000 0.49071060 0.80082727 1.0 Tb Tb2 1 0.50000000 0.99071060 0.19917273 1.0 Tb Tb3 1 0.50000000 0.00928940 0.80082727 1.0 Tb Tb4 1 0.00000000 0.75000000 0.45804874 1.0 Tb Tb5 1 0.00000000 0.25000000 0.54195126 1.0 Al Al6 1 0.00000000 0.75000000 0.00759501 1.0 Al Al7 1 0.00000000 0.25000000 0.99240499 1.0 C C8 1 0.50000000 0.50801961 0.56564403 1.0 C C9 1 0.50000000 0.49198039 0.43435597 1.0 C C10 1 0.50000000 0.99198039 0.56564403 1.0 C C11 1 0.50000000 0.00801961 0.43435597 1.0 C C12 1 0.00000000 0.75000000 0.20862665 1.0 C C13 1 0.00000000 0.25000000 0.79137335 1.0