# generated using pymatgen data_Nb9CdS16 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.73726837 _cell_length_b 6.73726796 _cell_length_c 13.04934783 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00001186 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nb9CdS16 _chemical_formula_sum 'Nb9 Cd1 S16' _cell_volume 512.96419865 _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 0.00000000 1.0 Nb Nb1 1 0.00000000 0.00000000 0.24208235 1.0 Nb Nb2 1 0.00000000 0.00000000 0.75791765 1.0 Nb Nb3 1 0.50621442 0.49378558 0.24119787 1.0 Nb Nb4 1 0.50621442 0.01242885 0.24119787 1.0 Nb Nb5 1 0.98757115 0.49378558 0.24119787 1.0 Nb Nb6 1 0.49378558 0.50621442 0.75880213 1.0 Nb Nb7 1 0.49378558 0.98757115 0.75880213 1.0 Nb Nb8 1 0.01242885 0.50621442 0.75880213 1.0 Cd Cd9 1 0.00000000 0.00000000 0.50000000 1.0 S S10 1 0.33333300 0.66666700 0.88133794 1.0 S S11 1 0.66666700 0.33333300 0.11866206 1.0 S S12 1 0.66666700 0.33333300 0.36366484 1.0 S S13 1 0.33333300 0.66666700 0.63633516 1.0 S S14 1 0.16923223 0.83076777 0.36071917 1.0 S S15 1 0.16923223 0.33846446 0.36071917 1.0 S S16 1 0.66153554 0.83076777 0.36071917 1.0 S S17 1 0.83076777 0.16923223 0.63928083 1.0 S S18 1 0.83076777 0.66153554 0.63928083 1.0 S S19 1 0.33846446 0.16923223 0.63928083 1.0 S S20 1 0.83341145 0.16658855 0.87810497 1.0 S S21 1 0.83341145 0.66682391 0.87810497 1.0 S S22 1 0.33317609 0.16658855 0.87810497 1.0 S S23 1 0.16658855 0.83341145 0.12189503 1.0 S S24 1 0.16658855 0.33317609 0.12189503 1.0 S S25 1 0.66682391 0.83341145 0.12189503 1.0