# generated using pymatgen data_Nb4GaC3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.17348723 _cell_length_b 3.17348683 _cell_length_c 23.95199196 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999376 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nb4GaC3 _chemical_formula_sum 'Nb8 Ga2 C6' _cell_volume 208.90351677 _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 Nb Nb0 1 0.00000000 0.00000000 0.34090507 1.0 Nb Nb1 1 0.00000000 0.00000000 0.65909493 1.0 Nb Nb2 1 0.00000000 0.00000000 0.84090507 1.0 Nb Nb3 1 0.00000000 0.00000000 0.15909493 1.0 Nb Nb4 1 0.33333300 0.66666700 0.44391684 1.0 Nb Nb5 1 0.66666700 0.33333300 0.55608316 1.0 Nb Nb6 1 0.66666700 0.33333300 0.94391684 1.0 Nb Nb7 1 0.33333300 0.66666700 0.05608316 1.0 Ga Ga8 1 0.33333300 0.66666700 0.25000000 1.0 Ga Ga9 1 0.66666700 0.33333300 0.75000000 1.0 C C10 1 0.00000000 0.00000000 0.50000000 1.0 C C11 1 0.00000000 0.00000000 0.00000000 1.0 C C12 1 0.66666700 0.33333300 0.39005954 1.0 C C13 1 0.33333300 0.66666700 0.60994046 1.0 C C14 1 0.33333300 0.66666700 0.89005954 1.0 C C15 1 0.66666700 0.33333300 0.10994046 1.0