# generated using pymatgen data_Ta3C2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.12887742 _cell_length_b 3.12887654 _cell_length_c 30.19391157 _cell_angle_alpha 89.99999808 _cell_angle_beta 90.00002953 _cell_angle_gamma 119.99992141 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ta3C2 _chemical_formula_sum 'Ta12 C8' _cell_volume 255.99255220 _cell_formula_units_Z 4 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 Ta Ta0 1 0.00000100 0.00000100 0.87662922 1.0 Ta Ta1 1 0.66666500 0.33333400 0.20533188 1.0 Ta Ta2 1 0.33333300 0.66666700 0.54100770 1.0 Ta Ta3 1 0.33333500 0.66666600 0.79464537 1.0 Ta Ta4 1 -0.00000000 0.99999900 0.12337402 1.0 Ta Ta5 1 0.66666700 0.33333300 0.45901776 1.0 Ta Ta6 1 0.99999900 -0.00000000 0.71183680 1.0 Ta Ta7 1 0.66666500 0.33333300 0.04162708 1.0 Ta Ta8 1 0.33333400 0.66666700 0.37653929 1.0 Ta Ta9 1 0.33333600 0.66666800 0.95839558 1.0 Ta Ta10 1 0.99999900 0.00000000 0.28814089 1.0 Ta Ta11 1 0.66666600 0.33333200 0.62346444 1.0 C C12 1 0.66666900 0.33333500 0.91660037 1.0 C C13 1 0.33333300 0.66666600 0.24546716 1.0 C C14 1 -0.00000000 -0.00000000 0.58087961 1.0 C C15 1 0.66666700 0.33333300 0.75451573 1.0 C C16 1 0.33333200 0.66666600 0.08341346 1.0 C C17 1 0.00000000 0.00000000 0.41912527 1.0 C C18 1 0.66666600 0.33333300 0.33220742 1.0 C C19 1 0.33333300 0.66666700 0.66778094 1.0