# generated using pymatgen data_Nb24(CuS8)5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 13.27200969 _cell_length_b 13.27200969 _cell_length_c 29.08529500 _cell_angle_alpha 85.73359661 _cell_angle_beta 85.73359661 _cell_angle_gamma 14.53459824 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nb24(CuS8)5 _chemical_formula_sum 'Nb24 Cu5 S40' _cell_volume 1282.13718122 _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 0.12164500 0.12164500 0.99164100 1.0 Nb Nb1 1 0.62210000 0.62210000 0.89371600 1.0 Nb Nb2 1 0.12201400 0.12201400 0.79097700 1.0 Nb Nb3 1 0.37794900 0.37794900 0.90721800 1.0 Nb Nb4 1 0.62186300 0.62186300 0.69146000 1.0 Nb Nb5 1 0.87813200 0.87813200 0.80841300 1.0 Nb Nb6 1 0.12249900 0.12249900 0.59157200 1.0 Nb Nb7 1 0.37805300 0.37805300 0.70914500 1.0 Nb Nb8 1 0.62243300 0.62243300 0.49352600 1.0 Nb Nb9 1 0.87790500 0.87790500 0.60623300 1.0 Nb Nb10 1 0.12411100 0.12411100 0.39059900 1.0 Nb Nb11 1 0.37813400 0.37813400 0.50769500 1.0 Nb Nb12 1 0.00037300 0.00037300 0.39565100 1.0 Nb Nb13 1 0.62527800 0.62527800 0.29157600 1.0 Nb Nb14 1 0.87589000 0.87589000 0.40935100 1.0 Nb Nb15 1 0.00041500 0.00041500 0.19503000 1.0 Nb Nb16 1 0.49976800 0.49976800 0.30524800 1.0 Nb Nb17 1 0.12496800 0.12496800 0.19197700 1.0 Nb Nb18 1 0.37515700 0.37515700 0.30804700 1.0 Nb Nb19 1 0.50049500 0.50049500 0.10430900 1.0 Nb Nb20 1 0.62428400 0.62428400 0.09113700 1.0 Nb Nb21 1 0.87505000 0.87505000 0.20839500 1.0 Nb Nb22 1 0.37696800 0.37696800 0.10955800 1.0 Nb Nb23 1 0.87803500 0.87803500 0.00700600 1.0 Cu Cu24 1 0.73220000 0.73220000 0.68348800 1.0 Cu Cu25 1 0.76775700 0.76775700 0.81638000 1.0 Cu Cu26 1 0.76752500 0.76752500 0.41662000 1.0 Cu Cu27 1 0.26733000 0.26733000 0.11678800 1.0 Cu Cu28 1 0.76743700 0.76743700 0.01456800 1.0 S S29 1 0.31598900 0.31598900 0.97721700 1.0 S S30 1 0.43711100 0.43711100 0.97004900 1.0 S S31 1 0.81705800 0.81705800 0.87951000 1.0 S S32 1 0.93755000 0.93755000 0.87047700 1.0 S S33 1 0.06218800 0.06218800 0.92927900 1.0 S S34 1 0.18235000 0.18235000 0.92182200 1.0 S S35 1 0.31635300 0.31635300 0.77790500 1.0 S S36 1 0.43734800 0.43734800 0.77110600 1.0 S S37 1 0.56395000 0.56395000 0.82964000 1.0 S S38 1 0.68251700 0.68251700 0.82174500 1.0 S S39 1 0.81755800 0.81755800 0.67834800 1.0 S S40 1 0.93609400 0.93609400 0.67033100 1.0 S S41 1 0.06269700 0.06269700 0.72893900 1.0 S S42 1 0.18357100 0.18357100 0.72216000 1.0 S S43 1 0.31775200 0.31775200 0.57813600 1.0 S S44 1 0.43761100 0.43761100 0.57036700 1.0 S S45 1 0.56300500 0.56300500 0.62932100 1.0 S S46 1 0.68290600 0.68290600 0.62015400 1.0 S S47 1 0.81627900 0.81627900 0.48068300 1.0 S S48 1 0.93907500 0.93907500 0.46994800 1.0 S S49 1 0.06238100 0.06238100 0.53007300 1.0 S S50 1 0.18306700 0.18306700 0.52104000 1.0 S S51 1 0.31457000 0.31457000 0.37753400 1.0 S S52 1 0.43617900 0.43617900 0.37218700 1.0 S S53 1 0.56126500 0.56126500 0.43065900 1.0 S S54 1 0.68275900 0.68275900 0.42121900 1.0 S S55 1 0.81568400 0.81568400 0.27882900 1.0 S S56 1 0.93823300 0.93823300 0.27058100 1.0 S S57 1 0.06364500 0.06364500 0.32851400 1.0 S S58 1 0.18457000 0.18457000 0.32103000 1.0 S S59 1 0.31504300 0.31504300 0.18049600 1.0 S S60 1 0.43677300 0.43677300 0.17135800 1.0 S S61 1 0.56178200 0.56178200 0.22966300 1.0 S S62 1 0.68449600 0.68449600 0.22096200 1.0 S S63 1 0.81631500 0.81631500 0.07913000 1.0 S S64 1 0.93919600 0.93919600 0.06926500 1.0 S S65 1 0.06413000 0.06413000 0.12837200 1.0 S S66 1 0.18366300 0.18366300 0.12104600 1.0 S S67 1 0.56116700 0.56116700 0.02996800 1.0 S S68 1 0.68284900 0.68284900 0.02011200 1.0