# generated using pymatgen data_Cu4SO10 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.93752800 _cell_length_b 5.83811000 _cell_length_c 11.19907127 _cell_angle_alpha 58.62576433 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cu4SO10 _chemical_formula_sum 'Cu16 S4 O40' _cell_volume 722.19437643 _cell_formula_units_Z 4 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 Cu Cu0 1 0.71374200 0.61466700 0.50993000 1.0 Cu Cu1 1 0.28625800 0.38533300 0.49007000 1.0 Cu Cu2 1 0.78625800 0.61466700 0.00993000 1.0 Cu Cu3 1 0.21374200 0.38533300 0.99007000 1.0 Cu Cu4 1 0.71079800 0.11494000 0.50939200 1.0 Cu Cu5 1 0.28920200 0.88506000 0.49060800 1.0 Cu Cu6 1 0.78920200 0.11494000 0.00939200 1.0 Cu Cu7 1 0.21079800 0.88506000 0.99060800 1.0 Cu Cu8 1 0.63831500 0.13322300 0.24186900 1.0 Cu Cu9 1 0.36168500 0.86677700 0.75813100 1.0 Cu Cu10 1 0.86168500 0.13322300 0.74186900 1.0 Cu Cu11 1 0.13831500 0.86677700 0.25813100 1.0 Cu Cu12 1 0.64397400 0.62835000 0.24659000 1.0 Cu Cu13 1 0.35602600 0.37165000 0.75341000 1.0 Cu Cu14 1 0.85602600 0.62835000 0.74659000 1.0 Cu Cu15 1 0.14397400 0.37165000 0.25341000 1.0 S S16 1 0.90776900 0.08567800 0.29250700 1.0 S S17 1 0.09223100 0.91432200 0.70749300 1.0 S S18 1 0.59223100 0.08567800 0.79250700 1.0 S S19 1 0.40776900 0.91432200 0.20749300 1.0 O O20 1 0.61193300 0.76398300 0.36642500 1.0 O O21 1 0.38806700 0.23601700 0.63357500 1.0 O O22 1 0.88806700 0.76398300 0.86642500 1.0 O O23 1 0.11193300 0.23601700 0.13357500 1.0 O O24 1 0.60854400 0.25465100 0.36498800 1.0 O O25 1 0.39145600 0.74534900 0.63501200 1.0 O O26 1 0.89145600 0.25465100 0.86498800 1.0 O O27 1 0.10854400 0.74534900 0.13501200 1.0 O O28 1 0.67060500 0.99880200 0.12526300 1.0 O O29 1 0.32939500 0.00119800 0.87473700 1.0 O O30 1 0.82939500 0.99880200 0.62526300 1.0 O O31 1 0.17060500 0.00119800 0.37473700 1.0 O O32 1 0.66664200 0.50151900 0.12425200 1.0 O O33 1 0.33335800 0.49848100 0.87574800 1.0 O O34 1 0.83335800 0.50151900 0.62425200 1.0 O O35 1 0.16664200 0.49848100 0.37574800 1.0 O O36 1 0.76072000 0.45690900 0.41646500 1.0 O O37 1 0.23928000 0.54309100 0.58353500 1.0 O O38 1 0.73928000 0.45690900 0.91646500 1.0 O O39 1 0.26072000 0.54309100 0.08353500 1.0 O O40 1 0.65966500 0.78014700 0.59327800 1.0 O O41 1 0.34033500 0.21985300 0.40672200 1.0 O O42 1 0.84033500 0.78014700 0.09327800 1.0 O O43 1 0.15966500 0.21985300 0.90672200 1.0 O O44 1 0.80244800 0.01451700 0.36118300 1.0 O O45 1 0.19755200 0.98548300 0.63881700 1.0 O O46 1 0.69755200 0.01451700 0.86118300 1.0 O O47 1 0.30244800 0.98548300 0.13881700 1.0 O O48 1 0.88768600 0.23865300 0.13686200 1.0 O O49 1 0.11231400 0.76134700 0.86313800 1.0 O O50 1 0.61231400 0.23865300 0.63686200 1.0 O O51 1 0.38768600 0.76134700 0.36313800 1.0 O O52 1 0.96314500 0.25898600 0.33016000 1.0 O O53 1 0.03685500 0.74101400 0.66984000 1.0 O O54 1 0.53685500 0.25898600 0.83016000 1.0 O O55 1 0.46314500 0.74101400 0.16984000 1.0 O O56 1 0.96291600 0.83406400 0.33359800 1.0 O O57 1 0.03708400 0.16593600 0.66640200 1.0 O O58 1 0.53708400 0.83406400 0.83359800 1.0 O O59 1 0.46291600 0.16593600 0.16640200 1.0