# generated using pymatgen data_Hf2TaC3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.23047719 _cell_length_b 3.23047698 _cell_length_c 7.92814099 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000222 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf2TaC3 _chemical_formula_sum 'Hf2 Ta1 C3' _cell_volume 71.65315476 _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 Hf Hf0 1 0.33333300 0.66666700 0.66860824 1.0 Hf Hf1 1 0.66666700 0.33333300 0.33139176 1.0 Ta Ta2 1 0.00000000 0.00000000 0.00000000 1.0 C C3 1 0.00000000 0.00000000 0.50000000 1.0 C C4 1 0.33333300 0.66666700 0.15917882 1.0 C C5 1 0.66666700 0.33333300 0.84082118 1.0