# generated using pymatgen data_Co2Hg2H2S2O11 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.19621600 _cell_length_b 11.37153000 _cell_length_c 13.32938800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Co2Hg2H2S2O11 _chemical_formula_sum 'Co8 Hg8 H8 S8 O44' _cell_volume 939.19475842 _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 Co Co0 1 0.01931700 0.16868000 0.12450800 1.0 Co Co1 1 0.01931700 0.33132000 0.87549200 1.0 Co Co2 1 0.98068300 0.66868000 0.37549200 1.0 Co Co3 1 0.98068300 0.83132000 0.62450800 1.0 Co Co4 1 0.98068300 0.83132000 0.87549200 1.0 Co Co5 1 0.98068300 0.66868000 0.12450800 1.0 Co Co6 1 0.01931700 0.33132000 0.62450800 1.0 Co Co7 1 0.01931700 0.16868000 0.37549200 1.0 Hg Hg8 1 0.20093800 0.41991700 0.25000000 1.0 Hg Hg9 1 0.20093800 0.08008300 0.75000000 1.0 Hg Hg10 1 0.79906200 0.91991700 0.25000000 1.0 Hg Hg11 1 0.79906200 0.58008300 0.75000000 1.0 Hg Hg12 1 0.52371900 0.17009500 0.25000000 1.0 Hg Hg13 1 0.52371900 0.32990500 0.75000000 1.0 Hg Hg14 1 0.47628100 0.67009500 0.25000000 1.0 Hg Hg15 1 0.47628100 0.82990500 0.75000000 1.0 H H16 1 0.30866600 0.30883100 0.02932100 1.0 H H17 1 0.30866600 0.19116900 0.97067900 1.0 H H18 1 0.69133400 0.80883100 0.47067900 1.0 H H19 1 0.69133400 0.69116900 0.52932100 1.0 H H20 1 0.69133400 0.69116900 0.97067900 1.0 H H21 1 0.69133400 0.80883100 0.02932100 1.0 H H22 1 0.30866600 0.19116900 0.52932100 1.0 H H23 1 0.30866600 0.30883100 0.47067900 1.0 S S24 1 0.73341600 0.41074200 0.07713300 1.0 S S25 1 0.73341600 0.08925800 0.92286700 1.0 S S26 1 0.26658400 0.91074200 0.42286700 1.0 S S27 1 0.26658400 0.58925800 0.57713300 1.0 S S28 1 0.26658400 0.58925800 0.92286700 1.0 S S29 1 0.26658400 0.91074200 0.07713300 1.0 S S30 1 0.73341600 0.08925800 0.57713300 1.0 S S31 1 0.73341600 0.41074200 0.42286700 1.0 O O32 1 0.11504700 0.83378300 0.13587700 1.0 O O33 1 0.11504700 0.66621700 0.86412300 1.0 O O34 1 0.88495300 0.33378300 0.36412300 1.0 O O35 1 0.88495300 0.16621700 0.63587700 1.0 O O36 1 0.88495300 0.16621700 0.86412300 1.0 O O37 1 0.88495300 0.33378300 0.13587700 1.0 O O38 1 0.11504700 0.66621700 0.63587700 1.0 O O39 1 0.11504700 0.83378300 0.36412300 1.0 O O40 1 0.21350300 0.59488200 0.03158400 1.0 O O41 1 0.21350300 0.90511800 0.96841600 1.0 O O42 1 0.78649700 0.09488200 0.46841600 1.0 O O43 1 0.78649700 0.40511800 0.53158400 1.0 O O44 1 0.78649700 0.40511800 0.96841600 1.0 O O45 1 0.78649700 0.09488200 0.03158400 1.0 O O46 1 0.21350300 0.90511800 0.53158400 1.0 O O47 1 0.21350300 0.59488200 0.46841600 1.0 O O48 1 0.24193000 0.03313000 0.11607400 1.0 O O49 1 0.24193000 0.46687000 0.88392600 1.0 O O50 1 0.75807000 0.53313000 0.38392600 1.0 O O51 1 0.75807000 0.96687000 0.61607400 1.0 O O52 1 0.75807000 0.96687000 0.88392600 1.0 O O53 1 0.75807000 0.53313000 0.11607400 1.0 O O54 1 0.24193000 0.46687000 0.61607400 1.0 O O55 1 0.24193000 0.03313000 0.38392600 1.0 O O56 1 0.50922700 0.37159400 0.09563400 1.0 O O57 1 0.50922700 0.12840600 0.90436600 1.0 O O58 1 0.49077300 0.87159400 0.40436600 1.0 O O59 1 0.49077300 0.62840600 0.59563400 1.0 O O60 1 0.49077300 0.62840600 0.90436600 1.0 O O61 1 0.49077300 0.87159400 0.09563400 1.0 O O62 1 0.50922700 0.12840600 0.59563400 1.0 O O63 1 0.50922700 0.37159400 0.40436600 1.0 O O64 1 0.16367600 0.60355300 0.25000000 1.0 O O65 1 0.16367600 0.89644700 0.75000000 1.0 O O66 1 0.83632400 0.10355300 0.25000000 1.0 O O67 1 0.83632400 0.39644700 0.75000000 1.0 O O68 1 0.21183000 0.23367400 0.25000000 1.0 O O69 1 0.21183000 0.26632600 0.75000000 1.0 O O70 1 0.78817000 0.73367400 0.25000000 1.0 O O71 1 0.78817000 0.76632600 0.75000000 1.0 O O72 1 0.20577200 0.25000000 0.00000000 1.0 O O73 1 0.79422800 0.75000000 0.50000000 1.0 O O74 1 0.79422800 0.75000000 0.00000000 1.0 O O75 1 0.20577200 0.25000000 0.50000000 1.0