# generated using pymatgen data_DyNb8CuS16 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.75060675 _cell_length_b 6.75060605 _cell_length_c 12.89646708 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000834 _symmetry_Int_Tables_number 1 _chemical_formula_structural DyNb8CuS16 _chemical_formula_sum 'Dy1 Nb8 Cu1 S16' _cell_volume 508.96383305 _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 Dy Dy0 1 0.00000000 0.00000000 0.50000000 1.0 Nb Nb1 1 0.50682194 0.49317806 0.76639711 1.0 Nb Nb2 1 0.01364288 0.50682194 0.23360289 1.0 Nb Nb3 1 0.49317806 0.98635712 0.23360289 1.0 Nb Nb4 1 0.50682194 0.01364288 0.76639711 1.0 Nb Nb5 1 0.98635712 0.49317806 0.76639711 1.0 Nb Nb6 1 0.49317806 0.50682194 0.23360289 1.0 Nb Nb7 1 0.00000000 0.00000000 0.76729339 1.0 Nb Nb8 1 0.00000000 0.00000000 0.23270661 1.0 Cu Cu9 1 0.00000000 0.00000000 0.00000000 1.0 S S10 1 0.83218168 0.16781832 0.35462338 1.0 S S11 1 0.83218168 0.66436336 0.35462338 1.0 S S12 1 0.33563664 0.16781832 0.35462338 1.0 S S13 1 0.66136191 0.83068146 0.88538867 1.0 S S14 1 0.16781832 0.33563664 0.64537662 1.0 S S15 1 0.16931854 0.83068146 0.88538867 1.0 S S16 1 0.16931854 0.33863809 0.88538867 1.0 S S17 1 0.83068146 0.16931854 0.11461133 1.0 S S18 1 0.33863809 0.16931854 0.11461133 1.0 S S19 1 0.66436336 0.83218168 0.64537662 1.0 S S20 1 0.33333300 0.66666700 0.11105575 1.0 S S21 1 0.66666700 0.33333300 0.64065298 1.0 S S22 1 0.66666700 0.33333300 0.88894425 1.0 S S23 1 0.33333300 0.66666700 0.35934702 1.0 S S24 1 0.83068146 0.66136191 0.11461133 1.0 S S25 1 0.16781832 0.83218168 0.64537662 1.0