# generated using pymatgen data_TbHf(TaS2)8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.67126909 _cell_length_b 6.67126816 _cell_length_c 13.27089671 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000956 _symmetry_Int_Tables_number 1 _chemical_formula_structural TbHf(TaS2)8 _chemical_formula_sum 'Tb1 Hf1 Ta8 S16' _cell_volume 511.50244651 _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 Tb Tb0 1 0.00000000 0.00000000 0.00000000 1.0 Hf Hf1 1 0.00000000 0.00000000 0.50000000 1.0 Ta Ta2 1 0.50558103 0.49441897 0.73967942 1.0 Ta Ta3 1 0.01116205 0.50558103 0.26032058 1.0 Ta Ta4 1 0.49441897 0.98883795 0.26032058 1.0 Ta Ta5 1 0.50558103 0.01116205 0.73967942 1.0 Ta Ta6 1 0.98883795 0.49441897 0.73967942 1.0 Ta Ta7 1 0.49441897 0.50558103 0.26032058 1.0 Ta Ta8 1 0.00000000 0.00000000 0.74055948 1.0 Ta Ta9 1 0.00000000 0.00000000 0.25944052 1.0 S S10 1 0.83184125 0.16815875 0.37826065 1.0 S S11 1 0.83184125 0.66368149 0.37826065 1.0 S S12 1 0.33631851 0.16815875 0.37826065 1.0 S S13 1 0.66169997 0.83084949 0.85717693 1.0 S S14 1 0.16815875 0.33631851 0.62173935 1.0 S S15 1 0.16915051 0.83084949 0.85717693 1.0 S S16 1 0.16915051 0.33830003 0.85717693 1.0 S S17 1 0.83084949 0.16915051 0.14282307 1.0 S S18 1 0.33830003 0.16915051 0.14282307 1.0 S S19 1 0.66368149 0.83184125 0.62173935 1.0 S S20 1 0.33333300 0.66666700 0.13977198 1.0 S S21 1 0.66666700 0.33333300 0.62008693 1.0 S S22 1 0.66666700 0.33333300 0.86022802 1.0 S S23 1 0.33333300 0.66666700 0.37991307 1.0 S S24 1 0.83084949 0.66169997 0.14282307 1.0 S S25 1 0.16815875 0.83184125 0.62173935 1.0