# generated using pymatgen data_Nb8CdNiS16 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.74501931 _cell_length_b 6.74502031 _cell_length_c 12.68283954 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999509 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nb8CdNiS16 _chemical_formula_sum 'Nb8 Cd1 Ni1 S16' _cell_volume 499.70490161 _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 0.23535940 1.0 Nb Nb1 1 0.00000000 0.00000000 0.76464060 1.0 Nb Nb2 1 0.50634207 0.01268414 0.23402094 1.0 Nb Nb3 1 0.98731586 0.49365793 0.23402094 1.0 Nb Nb4 1 0.50634207 0.49365793 0.23402094 1.0 Nb Nb5 1 0.49365793 0.98731586 0.76597906 1.0 Nb Nb6 1 0.01268414 0.50634207 0.76597906 1.0 Nb Nb7 1 0.49365793 0.50634207 0.76597906 1.0 Cd Cd8 1 0.00000000 0.00000000 0.50000000 1.0 Ni Ni9 1 0.00000000 0.00000000 0.00000000 1.0 S S10 1 0.33333300 0.66666700 0.89101037 1.0 S S11 1 0.66666700 0.33333300 0.10898963 1.0 S S12 1 0.66666700 0.33333300 0.36097643 1.0 S S13 1 0.33333300 0.66666700 0.63902357 1.0 S S14 1 0.16934221 0.83065779 0.35687166 1.0 S S15 1 0.16934221 0.33868441 0.35687166 1.0 S S16 1 0.66131559 0.83065779 0.35687166 1.0 S S17 1 0.83065779 0.16934221 0.64312834 1.0 S S18 1 0.83065779 0.66131559 0.64312834 1.0 S S19 1 0.33868441 0.16934221 0.64312834 1.0 S S20 1 0.83350236 0.16649764 0.88685538 1.0 S S21 1 0.83350236 0.66700471 0.88685538 1.0 S S22 1 0.33299529 0.16649764 0.88685538 1.0 S S23 1 0.16649764 0.83350236 0.11314462 1.0 S S24 1 0.16649764 0.33299529 0.11314462 1.0 S S25 1 0.66700471 0.83350236 0.11314462 1.0