# generated using pymatgen data_Nb8S8O45 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.86482624 _cell_length_b 10.86482624 _cell_length_c 10.86482635 _cell_angle_alpha 58.36260465 _cell_angle_beta 58.36260465 _cell_angle_gamma 58.36260315 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nb8S8O45 _chemical_formula_sum 'Nb8 S8 O45' _cell_volume 872.89219483 _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 0.42193000 0.87921400 0.32342800 1.0 Nb Nb1 1 0.87921400 0.32342800 0.42193000 1.0 Nb Nb2 1 0.32342800 0.42193000 0.87921400 1.0 Nb Nb3 1 0.57807000 0.12078600 0.67657200 1.0 Nb Nb4 1 0.12078600 0.67657200 0.57807000 1.0 Nb Nb5 1 0.67657200 0.57807000 0.12078600 1.0 Nb Nb6 1 0.37591200 0.37591200 0.37591200 1.0 Nb Nb7 1 0.62408800 0.62408800 0.62408800 1.0 S S8 1 0.18117500 0.11799800 0.55306600 1.0 S S9 1 0.11799800 0.55306600 0.18117500 1.0 S S10 1 0.55306600 0.18117500 0.11799800 1.0 S S11 1 0.81882500 0.88200200 0.44693400 1.0 S S12 1 0.88200200 0.44693400 0.81882500 1.0 S S13 1 0.44693400 0.81882500 0.88200200 1.0 S S14 1 0.14678900 0.14678900 0.14678900 1.0 S S15 1 0.85321100 0.85321100 0.85321100 1.0 O O16 1 0.54814500 0.74358900 0.21158300 1.0 O O17 1 0.74358900 0.21158300 0.54814500 1.0 O O18 1 0.21158300 0.54814500 0.74358900 1.0 O O19 1 0.45185500 0.25641100 0.78841700 1.0 O O20 1 0.25641100 0.78841700 0.45185500 1.0 O O21 1 0.78841700 0.45185500 0.25641100 1.0 O O22 1 0.48353900 0.23703300 0.52155400 1.0 O O23 1 0.23703300 0.52155400 0.48353900 1.0 O O24 1 0.52155400 0.48353900 0.23703300 1.0 O O25 1 0.51646100 0.76296700 0.47844600 1.0 O O26 1 0.76296700 0.47844600 0.51646100 1.0 O O27 1 0.47844600 0.51646100 0.76296700 1.0 O O28 1 0.03471500 0.16972500 0.29942100 1.0 O O29 1 0.16972500 0.29942100 0.03471500 1.0 O O30 1 0.29942100 0.03471500 0.16972500 1.0 O O31 1 0.96528500 0.83027500 0.70057900 1.0 O O32 1 0.83027500 0.70057900 0.96528500 1.0 O O33 1 0.70057900 0.96528500 0.83027500 1.0 O O34 1 0.27680300 0.05570500 0.42339200 1.0 O O35 1 0.05570500 0.42339200 0.27680300 1.0 O O36 1 0.42339200 0.27680300 0.05570500 1.0 O O37 1 0.72319700 0.94429500 0.57660800 1.0 O O38 1 0.94429500 0.57660800 0.72319700 1.0 O O39 1 0.57660800 0.72319700 0.94429500 1.0 O O40 1 0.22500900 0.25243600 0.50291300 1.0 O O41 1 0.25243600 0.50291300 0.22500900 1.0 O O42 1 0.50291300 0.22500900 0.25243600 1.0 O O43 1 0.77499100 0.74756400 0.49708700 1.0 O O44 1 0.74756400 0.49708700 0.77499100 1.0 O O45 1 0.49708700 0.77499100 0.74756400 1.0 O O46 1 0.80448900 0.99422000 0.30259500 1.0 O O47 1 0.99422000 0.30259500 0.80448900 1.0 O O48 1 0.30259500 0.80448900 0.99422000 1.0 O O49 1 0.19551100 0.00578000 0.69740500 1.0 O O50 1 0.00578000 0.69740500 0.19551100 1.0 O O51 1 0.69740500 0.19551100 0.00578000 1.0 O O52 1 0.01592400 0.18825800 0.55755100 1.0 O O53 1 0.18825800 0.55755100 0.01592400 1.0 O O54 1 0.55755100 0.01592400 0.18825800 1.0 O O55 1 0.98407600 0.81174200 0.44244900 1.0 O O56 1 0.81174200 0.44244900 0.98407600 1.0 O O57 1 0.44244900 0.98407600 0.81174200 1.0 O O58 1 0.09414700 0.09414700 0.09414700 1.0 O O59 1 0.90585300 0.90585300 0.90585300 1.0 O O60 1 0.00000000 0.00000000 0.00000000 1.0