# generated using pymatgen data_TaTi2C3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.10288088 _cell_length_b 3.10288145 _cell_length_c 7.56609870 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99998333 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaTi2C3 _chemical_formula_sum 'Ta1 Ti2 C3' _cell_volume 63.08600008 _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 Ta Ta0 1 0.33333300 0.66666700 0.16669821 1.0 Ti Ti1 1 0.00000000 0.00000000 0.50469072 1.0 Ti Ti2 1 0.66666700 0.33333300 0.82862112 1.0 C C3 1 0.33333300 0.66666700 0.66665670 1.0 C C4 1 0.00000000 0.00000000 0.99701960 1.0 C C5 1 0.66666700 0.33333300 0.33631465 1.0