# generated using pymatgen data_Nb8CdIrS16 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.73496372 _cell_length_b 6.73496448 _cell_length_c 12.72071114 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999628 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nb8CdIrS16 _chemical_formula_sum 'Nb8 Cd1 Ir1 S16' _cell_volume 499.70375036 _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 0.23400476 1.0 Nb Nb1 1 0.00000000 0.00000000 0.76599524 1.0 Nb Nb2 1 0.50622975 0.01246050 0.23155699 1.0 Nb Nb3 1 0.98753950 0.49377025 0.23155699 1.0 Nb Nb4 1 0.50622975 0.49377025 0.23155699 1.0 Nb Nb5 1 0.49377025 0.98753950 0.76844301 1.0 Nb Nb6 1 0.01246050 0.50622975 0.76844301 1.0 Nb Nb7 1 0.49377025 0.50622975 0.76844301 1.0 Cd Cd8 1 0.00000000 0.00000000 0.50000000 1.0 Ir Ir9 1 0.00000000 0.00000000 0.00000000 1.0 S S10 1 0.33333300 0.66666700 0.89370541 1.0 S S11 1 0.66666700 0.33333300 0.10629459 1.0 S S12 1 0.66666700 0.33333300 0.35847398 1.0 S S13 1 0.33333300 0.66666700 0.64152602 1.0 S S14 1 0.16887149 0.83112851 0.35496920 1.0 S S15 1 0.16887149 0.33774397 0.35496920 1.0 S S16 1 0.66225603 0.83112851 0.35496920 1.0 S S17 1 0.83112851 0.16887149 0.64503080 1.0 S S18 1 0.83112851 0.66225603 0.64503080 1.0 S S19 1 0.33774397 0.16887149 0.64503080 1.0 S S20 1 0.83394035 0.16605965 0.88828479 1.0 S S21 1 0.83394035 0.66788170 0.88828479 1.0 S S22 1 0.33211830 0.16605965 0.88828479 1.0 S S23 1 0.16605965 0.83394035 0.11171521 1.0 S S24 1 0.16605965 0.33211830 0.11171521 1.0 S S25 1 0.66788170 0.83394035 0.11171521 1.0