# generated using pymatgen data_Ta4AlS8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.65375939 _cell_length_b 6.65375938 _cell_length_c 12.11911846 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999509 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ta4AlS8 _chemical_formula_sum 'Ta8 Al2 S16' _cell_volume 464.66061960 _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 0.25000000 1.0 Ta Ta1 1 0.00000000 0.00000000 0.75000000 1.0 Ta Ta2 1 0.50571275 0.01142449 0.25000000 1.0 Ta Ta3 1 0.49428725 0.98857551 0.75000000 1.0 Ta Ta4 1 0.98857551 0.49428725 0.25000000 1.0 Ta Ta5 1 0.01142449 0.50571275 0.75000000 1.0 Ta Ta6 1 0.50571275 0.49428725 0.25000000 1.0 Ta Ta7 1 0.49428725 0.50571275 0.75000000 1.0 Al Al8 1 0.00000000 0.00000000 0.00000000 1.0 Al Al9 1 0.00000000 0.00000000 0.50000000 1.0 S S10 1 0.33333300 0.66666700 0.61926684 1.0 S S11 1 0.66666700 0.33333300 0.38073316 1.0 S S12 1 0.66666700 0.33333300 0.11926684 1.0 S S13 1 0.33333300 0.66666700 0.88073316 1.0 S S14 1 0.16743401 0.33486701 0.12055162 1.0 S S15 1 0.83256599 0.66513299 0.87944838 1.0 S S16 1 0.66513299 0.83256599 0.12055162 1.0 S S17 1 0.83256599 0.66513299 0.62055162 1.0 S S18 1 0.33486701 0.16743401 0.87944838 1.0 S S19 1 0.16743401 0.33486701 0.37944838 1.0 S S20 1 0.16743401 0.83256599 0.12055162 1.0 S S21 1 0.33486701 0.16743401 0.62055162 1.0 S S22 1 0.83256599 0.16743401 0.87944838 1.0 S S23 1 0.66513299 0.83256599 0.37944838 1.0 S S24 1 0.83256599 0.16743401 0.62055162 1.0 S S25 1 0.16743401 0.83256599 0.37944838 1.0