# generated using pymatgen data_Cu4SO10 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.67644900 _cell_length_b 5.85496300 _cell_length_c 13.47787978 _cell_angle_alpha 76.63811002 _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 742.92206092 _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 0.75485700 0.30534700 0.14624800 1.0 Cu Cu1 1 0.25485700 0.69465300 0.35375200 1.0 Cu Cu2 1 0.24514300 0.69465300 0.85375200 1.0 Cu Cu3 1 0.74514300 0.30534700 0.64624800 1.0 Cu Cu4 1 0.99068100 0.48159100 0.28361600 1.0 Cu Cu5 1 0.49068100 0.51840900 0.21638400 1.0 Cu Cu6 1 0.00931900 0.51840900 0.71638400 1.0 Cu Cu7 1 0.50931900 0.48159100 0.78361600 1.0 Cu Cu8 1 0.99034200 0.98111200 0.28391500 1.0 Cu Cu9 1 0.49034200 0.01888800 0.21608500 1.0 Cu Cu10 1 0.00965800 0.01888800 0.71608500 1.0 Cu Cu11 1 0.50965800 0.98111200 0.78391500 1.0 Cu Cu12 1 0.75061800 0.80309100 0.15017100 1.0 Cu Cu13 1 0.25061800 0.19690900 0.34982900 1.0 Cu Cu14 1 0.24938200 0.19690900 0.84982900 1.0 Cu Cu15 1 0.74938200 0.80309100 0.65017100 1.0 S S16 1 0.71315100 0.16573400 0.41732400 1.0 S S17 1 0.21315100 0.83426600 0.08267600 1.0 S S18 1 0.28684900 0.83426600 0.58267600 1.0 S S19 1 0.78684900 0.16573400 0.91732400 1.0 O O20 1 0.63366900 0.56382600 0.11795500 1.0 O O21 1 0.13366900 0.43617400 0.38204500 1.0 O O22 1 0.36633100 0.43617400 0.88204500 1.0 O O23 1 0.86633100 0.56382600 0.61795500 1.0 O O24 1 0.87204500 0.54227300 0.17019000 1.0 O O25 1 0.37204500 0.45772700 0.32981000 1.0 O O26 1 0.12795500 0.45772700 0.82981000 1.0 O O27 1 0.62795500 0.54227300 0.67019000 1.0 O O28 1 0.90918600 0.70333800 0.33569600 1.0 O O29 1 0.40918600 0.29666200 0.16430400 1.0 O O30 1 0.09081400 0.29666200 0.66430400 1.0 O O31 1 0.59081400 0.70333800 0.83569600 1.0 O O32 1 0.08099300 0.25691600 0.23555800 1.0 O O33 1 0.58099300 0.74308400 0.26444200 1.0 O O34 1 0.91900700 0.74308400 0.76444200 1.0 O O35 1 0.41900700 0.25691600 0.73555800 1.0 O O36 1 0.87129900 0.04140200 0.17268700 1.0 O O37 1 0.37129900 0.95859800 0.32731300 1.0 O O38 1 0.12870100 0.95859800 0.82731300 1.0 O O39 1 0.62870100 0.04140200 0.67268700 1.0 O O40 1 0.63250100 0.07683100 0.11941100 1.0 O O41 1 0.13250100 0.92316900 0.38058900 1.0 O O42 1 0.36749900 0.92316900 0.88058900 1.0 O O43 1 0.86749900 0.07683100 0.61941100 1.0 O O44 1 0.64195200 0.21829300 0.31505800 1.0 O O45 1 0.14195200 0.78170700 0.18494200 1.0 O O46 1 0.35804800 0.78170700 0.68494200 1.0 O O47 1 0.85804800 0.21829300 0.81505800 1.0 O O48 1 0.82780300 0.34797000 0.97152100 1.0 O O49 1 0.32780300 0.65203000 0.52847900 1.0 O O50 1 0.17219700 0.65203000 0.02847900 1.0 O O51 1 0.67219700 0.34797000 0.47152100 1.0 O O52 1 0.86585200 0.17811900 0.39633000 1.0 O O53 1 0.36585200 0.82188100 0.10367000 1.0 O O54 1 0.13414800 0.82188100 0.60367000 1.0 O O55 1 0.63414800 0.17811900 0.89633000 1.0 O O56 1 0.82386600 0.92765500 0.97522300 1.0 O O57 1 0.32386600 0.07234500 0.52477700 1.0 O O58 1 0.17613400 0.07234500 0.02477700 1.0 O O59 1 0.67613400 0.92765500 0.47522300 1.0