# generated using pymatgen data_Ta4NbS8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.65287523 _cell_length_b 6.65287467 _cell_length_c 12.74314529 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000776 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ta4NbS8 _chemical_formula_sum 'Ta8 Nb2 S16' _cell_volume 488.45656721 _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 0.50524800 0.49475200 0.75000000 1.0 Ta Ta1 1 0.01049501 0.50524800 0.25000000 1.0 Ta Ta2 1 0.49475200 0.98950499 0.25000000 1.0 Ta Ta3 1 0.50524800 0.01049501 0.75000000 1.0 Ta Ta4 1 0.98950499 0.49475200 0.75000000 1.0 Ta Ta5 1 0.49475200 0.50524800 0.25000000 1.0 Ta Ta6 1 0.00000000 0.00000000 0.75000000 1.0 Ta Ta7 1 0.00000000 0.00000000 0.25000000 1.0 Nb Nb8 1 0.00000000 0.00000000 0.50000000 1.0 Nb Nb9 1 0.00000000 0.00000000 0.00000000 1.0 S S10 1 0.83233771 0.16766229 0.37272042 1.0 S S11 1 0.83233771 0.66467642 0.37272042 1.0 S S12 1 0.33532358 0.16766229 0.37272042 1.0 S S13 1 0.66467642 0.83233771 0.87272042 1.0 S S14 1 0.16766229 0.33532358 0.62727958 1.0 S S15 1 0.16766229 0.83233771 0.87272042 1.0 S S16 1 0.16766229 0.33532358 0.87272042 1.0 S S17 1 0.83233771 0.16766229 0.12727958 1.0 S S18 1 0.33532358 0.16766229 0.12727958 1.0 S S19 1 0.66467642 0.83233771 0.62727958 1.0 S S20 1 0.33333300 0.66666700 0.12503156 1.0 S S21 1 0.66666700 0.33333300 0.62503156 1.0 S S22 1 0.66666700 0.33333300 0.87496844 1.0 S S23 1 0.33333300 0.66666700 0.37496844 1.0 S S24 1 0.83233771 0.66467642 0.12727958 1.0 S S25 1 0.16766229 0.83233771 0.62727958 1.0