# generated using pymatgen data_Cu4H10SO12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.63050130 _cell_length_b 6.02120900 _cell_length_c 11.58719253 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.82869136 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cu4H10SO12 _chemical_formula_sum 'Cu8 H20 S2 O24' _cell_volume 532.31606045 _cell_formula_units_Z 2 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 0.98783100 0.00067200 0.00480600 1.0 Cu Cu1 1 0.98783100 0.99932800 0.50480600 1.0 Cu Cu2 1 0.98922900 0.50202300 0.00594600 1.0 Cu Cu3 1 0.98922900 0.49797700 0.50594600 1.0 Cu Cu4 1 0.98548400 0.75173700 0.75639100 1.0 Cu Cu5 1 0.98548400 0.24826300 0.25639100 1.0 Cu Cu6 1 0.98886000 0.26534400 0.75160600 1.0 Cu Cu7 1 0.98886000 0.73465600 0.25160600 1.0 H H8 1 0.25062300 0.24400700 0.52837500 1.0 H H9 1 0.25062300 0.75599300 0.02837500 1.0 H H10 1 0.23118800 0.62303400 0.62706500 1.0 H H11 1 0.23118800 0.37696600 0.12706500 1.0 H H12 1 0.73383700 0.73067900 0.46590600 1.0 H H13 1 0.73383700 0.26932100 0.96590600 1.0 H H14 1 0.22226600 0.99511700 0.85416800 1.0 H H15 1 0.22226600 0.00488300 0.35416800 1.0 H H16 1 0.75432000 0.99744900 0.66707900 1.0 H H17 1 0.75432000 0.00255100 0.16707900 1.0 H H18 1 0.23510600 0.49554400 0.84125900 1.0 H H19 1 0.23510600 0.50445600 0.34125900 1.0 H H20 1 0.65233900 0.60849000 0.87268900 1.0 H H21 1 0.65233900 0.39151000 0.37268900 1.0 H H22 1 0.64212800 0.84719400 0.92284400 1.0 H H23 1 0.64212800 0.15280600 0.42284400 1.0 H H24 1 0.48140100 0.26504100 0.78147000 1.0 H H25 1 0.48140100 0.73495900 0.28147000 1.0 H H26 1 0.51523300 0.48355300 0.71445100 1.0 H H27 1 0.51523300 0.51644700 0.21445100 1.0 S S28 1 0.45155400 0.83526700 0.58157600 1.0 S S29 1 0.45155400 0.16473300 0.08157600 1.0 O O30 1 0.50405400 0.96802600 0.68181600 1.0 O O31 1 0.50405400 0.03197400 0.18181600 1.0 O O32 1 0.24383800 0.77678900 0.59867500 1.0 O O33 1 0.24383800 0.22321100 0.09867500 1.0 O O34 1 0.53717700 0.61775900 0.57505900 1.0 O O35 1 0.53717700 0.38224100 0.07505900 1.0 O O36 1 0.45169200 0.03928600 0.97275000 1.0 O O37 1 0.45169200 0.96071400 0.47275000 1.0 O O38 1 0.13383100 0.25113100 0.56154700 1.0 O O39 1 0.13383100 0.74886900 0.06154700 1.0 O O40 1 0.90923400 0.48523900 0.16137300 1.0 O O41 1 0.90923400 0.51476100 0.66137300 1.0 O O42 1 0.85546000 0.74638700 0.44169700 1.0 O O43 1 0.85546000 0.25361300 0.94169700 1.0 O O44 1 0.09427000 0.00211500 0.84566700 1.0 O O45 1 0.09427000 0.99788500 0.34566700 1.0 O O46 1 0.88368800 0.99409300 0.16406900 1.0 O O47 1 0.88368800 0.00590700 0.66406900 1.0 O O48 1 0.10558900 0.49385500 0.34815900 1.0 O O49 1 0.10558900 0.50614500 0.84815900 1.0 O O50 1 0.72641200 0.73464400 0.89737200 1.0 O O51 1 0.72641200 0.26535600 0.39737200 1.0 O O52 1 0.47515500 0.42673200 0.78988400 1.0 O O53 1 0.47515500 0.57326800 0.28988400 1.0