# generated using pymatgen data_Ta4AlC3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.12943415 _cell_length_b 3.12943421 _cell_length_c 24.14679989 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999922 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ta4AlC3 _chemical_formula_sum 'Ta8 Al2 C6' _cell_volume 204.79618490 _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 Ta Ta0 1 0.00000000 0.00000000 0.34228073 1.0 Ta Ta1 1 -0.00000000 0.00000000 0.84228073 1.0 Ta Ta2 1 -0.00000000 0.00000000 0.65771927 1.0 Ta Ta3 1 -0.00000000 -0.00000000 0.15771927 1.0 Ta Ta4 1 0.33333300 0.66666700 0.44461790 1.0 Ta Ta5 1 0.66666700 0.33333300 0.94461790 1.0 Ta Ta6 1 0.66666700 0.33333300 0.55538210 1.0 Ta Ta7 1 0.33333300 0.66666700 0.05538210 1.0 Al Al8 1 0.66666700 0.33333300 0.75000000 1.0 Al Al9 1 0.33333300 0.66666700 0.25000000 1.0 C C10 1 0.66666700 0.33333300 0.39186900 1.0 C C11 1 0.33333300 0.66666700 0.89186900 1.0 C C12 1 0.33333300 0.66666700 0.60813100 1.0 C C13 1 -0.00000000 -0.00000000 0.00000000 1.0 C C14 1 0.66666700 0.33333300 0.10813100 1.0 C C15 1 -0.00000000 0.00000000 0.50000000 1.0