# generated using pymatgen data_Cs3H(SeO4)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.84780567 _cell_length_b 8.84780567 _cell_length_c 11.21804152 _cell_angle_alpha 78.60494550 _cell_angle_beta 78.60494550 _cell_angle_gamma 43.18042257 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cs3H(SeO4)2 _chemical_formula_sum 'Cs6 H2 Se4 O16' _cell_volume 587.22088641 _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 Cs Cs0 1 0.91234900 0.46718700 0.84776900 1.0 Cs Cs1 1 0.46718700 0.91234900 0.34776900 1.0 Cs Cs2 1 0.08597500 0.53115500 0.15259100 1.0 Cs Cs3 1 0.53115500 0.08597500 0.65259100 1.0 Cs Cs4 1 0.74622800 0.25909900 0.25069000 1.0 Cs Cs5 1 0.25909900 0.74622800 0.75069000 1.0 H H6 1 0.03118500 0.96731200 0.49280600 1.0 H H7 1 0.96731200 0.03118500 0.99280600 1.0 Se Se8 1 0.32772500 0.90016100 0.03651800 1.0 Se Se9 1 0.90016100 0.32772500 0.53651800 1.0 Se Se10 1 0.66745400 0.09947100 0.96482900 1.0 Se Se11 1 0.09947100 0.66745400 0.46482900 1.0 O O12 1 0.38510700 0.92267200 0.88650000 1.0 O O13 1 0.92267200 0.38510700 0.38650000 1.0 O O14 1 0.62028900 0.07530600 0.11489300 1.0 O O15 1 0.07530600 0.62028900 0.61489300 1.0 O O16 1 0.17514200 0.13823900 0.09851300 1.0 O O17 1 0.13823900 0.17514200 0.59851300 1.0 O O18 1 0.83167800 0.86182700 0.90186800 1.0 O O19 1 0.86182700 0.83167800 0.40186800 1.0 O O20 1 0.16920800 0.85144800 0.05341300 1.0 O O21 1 0.85144800 0.16920800 0.55341300 1.0 O O22 1 0.81826200 0.16476200 0.94644400 1.0 O O23 1 0.16476200 0.81826200 0.44644400 1.0 O O24 1 0.56004800 0.69014200 0.10600900 1.0 O O25 1 0.69014200 0.56004800 0.60600900 1.0 O O26 1 0.44203700 0.31253200 0.89325600 1.0 O O27 1 0.31253200 0.44203700 0.39325600 1.0