# generated using pymatgen data_Zr(TaC)5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.50782687 _cell_length_b 5.50782883 _cell_length_c 5.48375277 _cell_angle_alpha 80.65929990 _cell_angle_beta 80.65929452 _cell_angle_gamma 120.38822268 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr(TaC)5 _chemical_formula_sum 'Zr1 Ta5 C5' _cell_volume 135.63600071 _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 Zr Zr0 1 0.74484208 0.74484208 0.74385159 1.0 Ta Ta1 1 0.25921432 0.25921432 0.25961383 1.0 Ta Ta2 1 0.08366689 0.43600173 0.74604385 1.0 Ta Ta3 1 0.56605573 0.91500288 0.25307219 1.0 Ta Ta4 1 0.91500288 0.56605573 0.25307219 1.0 Ta Ta5 1 0.43600173 0.08366689 0.74604385 1.0 C C6 1 0.49550801 0.49550801 0.49795995 1.0 C C7 1 0.66273717 0.32703198 0.00521253 1.0 C C8 1 0.32703198 0.66273717 0.00521253 1.0 C C9 1 0.83523477 0.17470444 0.49495874 1.0 C C10 1 0.17470444 0.83523477 0.49495874 1.0