# generated using pymatgen data_Nb8CdCoS16 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.74226267 _cell_length_b 6.74226277 _cell_length_c 12.69536816 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999459 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nb8CdCoS16 _chemical_formula_sum 'Nb8 Cd1 Co1 S16' _cell_volume 499.78969574 _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 Nb Nb0 1 0.00000000 0.00000000 0.23369944 1.0 Nb Nb1 1 0.00000000 0.00000000 0.76630056 1.0 Nb Nb2 1 0.50656610 0.01313220 0.23377953 1.0 Nb Nb3 1 0.98686780 0.49343390 0.23377953 1.0 Nb Nb4 1 0.50656610 0.49343390 0.23377953 1.0 Nb Nb5 1 0.49343390 0.98686780 0.76622047 1.0 Nb Nb6 1 0.01313220 0.50656610 0.76622047 1.0 Nb Nb7 1 0.49343390 0.50656610 0.76622047 1.0 Cd Cd8 1 0.00000000 0.00000000 0.50000000 1.0 Co Co9 1 0.00000000 0.00000000 0.00000000 1.0 S S10 1 0.33333300 0.66666700 0.89163031 1.0 S S11 1 0.66666700 0.33333300 0.10836969 1.0 S S12 1 0.66666700 0.33333300 0.36080475 1.0 S S13 1 0.33333300 0.66666700 0.63919525 1.0 S S14 1 0.16892869 0.83107131 0.35647385 1.0 S S15 1 0.16892869 0.33785837 0.35647385 1.0 S S16 1 0.66214163 0.83107131 0.35647385 1.0 S S17 1 0.83107131 0.16892869 0.64352615 1.0 S S18 1 0.83107131 0.66214163 0.64352615 1.0 S S19 1 0.33785837 0.16892869 0.64352615 1.0 S S20 1 0.83331777 0.16668223 0.88696464 1.0 S S21 1 0.83331777 0.66663655 0.88696464 1.0 S S22 1 0.33336345 0.16668223 0.88696464 1.0 S S23 1 0.16668223 0.83331777 0.11303536 1.0 S S24 1 0.16668223 0.33336345 0.11303536 1.0 S S25 1 0.66663655 0.83331777 0.11303536 1.0