# generated using pymatgen data_TiNb3(AsC)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.32094819 _cell_length_b 3.32094892 _cell_length_c 11.89970632 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00001269 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiNb3(AsC)2 _chemical_formula_sum 'Ti1 Nb3 As2 C2' _cell_volume 113.65567231 _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 Ti Ti0 1 0.33333300 0.66666700 0.40434902 1.0 Nb Nb1 1 0.66666700 0.33333300 0.90546887 1.0 Nb Nb2 1 0.66666700 0.33333300 0.59319154 1.0 Nb Nb3 1 0.33333300 0.66666700 0.09850285 1.0 As As4 1 0.66666700 0.33333300 0.25405184 1.0 As As5 1 0.33333300 0.66666700 0.74873667 1.0 C C6 1 0.00000000 0.00000000 0.49385888 1.0 C C7 1 0.00000000 0.00000000 0.00184033 1.0