# generated using pymatgen data_MnNb8PbS16 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.74796566 _cell_length_b 6.74796563 _cell_length_c 13.66863554 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000015 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnNb8PbS16 _chemical_formula_sum 'Mn1 Nb8 Pb1 S16' _cell_volume 539.01583028 _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 Mn Mn0 1 0.00000000 0.00000000 0.50000000 1.0 Nb Nb1 1 0.98744529 0.49372315 0.27239295 1.0 Nb Nb2 1 0.01255471 0.50627685 0.72760705 1.0 Nb Nb3 1 0.49372315 0.50627685 0.72760705 1.0 Nb Nb4 1 0.50627685 0.01255471 0.27239295 1.0 Nb Nb5 1 0.00000000 0.00000000 0.72808055 1.0 Nb Nb6 1 0.00000000 0.00000000 0.27191945 1.0 Nb Nb7 1 0.50627685 0.49372315 0.27239295 1.0 Nb Nb8 1 0.49372315 0.98744529 0.72760705 1.0 Pb Pb9 1 0.00000000 0.00000000 0.00000000 1.0 S S10 1 0.33333300 0.66666700 0.61129392 1.0 S S11 1 0.66666700 0.33333300 0.15473279 1.0 S S12 1 0.66666700 0.33333300 0.38870608 1.0 S S13 1 0.33333300 0.66666700 0.84526721 1.0 S S14 1 0.16793068 0.33586236 0.38545930 1.0 S S15 1 0.83174598 0.16825402 0.84074819 1.0 S S16 1 0.33650703 0.16825402 0.84074819 1.0 S S17 1 0.66413764 0.83206932 0.38545930 1.0 S S18 1 0.16793068 0.83206932 0.38545930 1.0 S S19 1 0.83174598 0.66349297 0.84074819 1.0 S S20 1 0.16825402 0.33650703 0.15925181 1.0 S S21 1 0.83206932 0.16793068 0.61454070 1.0 S S22 1 0.33586236 0.16793068 0.61454070 1.0 S S23 1 0.66349297 0.83174598 0.15925181 1.0 S S24 1 0.16825402 0.83174598 0.15925181 1.0 S S25 1 0.83206932 0.66413764 0.61454070 1.0