# generated using pymatgen data_Nb4PdS8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.75322821 _cell_length_b 6.75322882 _cell_length_c 12.28258931 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999702 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nb4PdS8 _chemical_formula_sum 'Nb8 Pd2 S16' _cell_volume 485.11361853 _cell_formula_units_Z 2 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 0.25000000 1.0 Nb Nb1 1 0.00000000 0.00000000 0.75000000 1.0 Nb Nb2 1 0.50788892 0.49211108 0.25000000 1.0 Nb Nb3 1 0.50788892 0.01577784 0.25000000 1.0 Nb Nb4 1 0.98422216 0.49211108 0.25000000 1.0 Nb Nb5 1 0.49211108 0.50788892 0.75000000 1.0 Nb Nb6 1 0.49211108 0.98422216 0.75000000 1.0 Nb Nb7 1 0.01577784 0.50788892 0.75000000 1.0 Pd Pd8 1 0.00000000 0.00000000 0.50000000 1.0 Pd Pd9 1 0.00000000 0.00000000 0.00000000 1.0 S S10 1 0.33333300 0.66666700 0.88219975 1.0 S S11 1 0.66666700 0.33333300 0.11780025 1.0 S S12 1 0.66666700 0.33333300 0.38219975 1.0 S S13 1 0.33333300 0.66666700 0.61780025 1.0 S S14 1 0.16840313 0.83159687 0.37427492 1.0 S S15 1 0.16840313 0.33680625 0.37427492 1.0 S S16 1 0.66319375 0.83159687 0.37427492 1.0 S S17 1 0.83159687 0.16840313 0.62572508 1.0 S S18 1 0.83159687 0.66319375 0.62572508 1.0 S S19 1 0.33680625 0.16840313 0.62572508 1.0 S S20 1 0.83159687 0.16840313 0.87427492 1.0 S S21 1 0.83159687 0.66319375 0.87427492 1.0 S S22 1 0.33680625 0.16840313 0.87427492 1.0 S S23 1 0.16840313 0.83159687 0.12572508 1.0 S S24 1 0.16840313 0.33680625 0.12572508 1.0 S S25 1 0.66319375 0.83159687 0.12572508 1.0