# generated using pymatgen data_Sn2(SO4)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.06119800 _cell_length_b 9.22225400 _cell_length_c 12.57573600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sn2(SO4)3 _chemical_formula_sum 'Sn8 S12 O48' _cell_volume 1050.88722256 _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 Sn Sn0 1 0.96839000 0.25163100 0.12271400 1.0 Sn Sn1 1 0.46839000 0.74836900 0.12271400 1.0 Sn Sn2 1 0.96839000 0.75163100 0.37728600 1.0 Sn Sn3 1 0.46839000 0.24836900 0.37728600 1.0 Sn Sn4 1 0.03161000 0.24836900 0.62271400 1.0 Sn Sn5 1 0.53161000 0.75163100 0.62271400 1.0 Sn Sn6 1 0.53161000 0.25163100 0.87728600 1.0 Sn Sn7 1 0.03161000 0.74836900 0.87728600 1.0 S S8 1 0.25000000 0.45817000 0.00000000 1.0 S S9 1 0.75000000 0.54183000 0.00000000 1.0 S S10 1 0.60624300 0.09970200 0.14480900 1.0 S S11 1 0.10624300 0.90029800 0.14480900 1.0 S S12 1 0.10624300 0.40029800 0.35519100 1.0 S S13 1 0.60624300 0.59970200 0.35519100 1.0 S S14 1 0.75000000 0.04183000 0.50000000 1.0 S S15 1 0.25000000 0.95817000 0.50000000 1.0 S S16 1 0.39375700 0.40029800 0.64480900 1.0 S S17 1 0.89375700 0.59970200 0.64480900 1.0 S S18 1 0.89375700 0.09970200 0.85519100 1.0 S S19 1 0.39375700 0.90029800 0.85519100 1.0 O O20 1 0.57710100 0.13090400 0.03121300 1.0 O O21 1 0.07710100 0.86909600 0.03121300 1.0 O O22 1 0.36162000 0.54761200 0.05633900 1.0 O O23 1 0.86162000 0.45238800 0.05633900 1.0 O O24 1 0.17916900 0.36494300 0.08278900 1.0 O O25 1 0.67916900 0.63505700 0.08278900 1.0 O O26 1 0.11446000 0.06119100 0.16235200 1.0 O O27 1 0.61446000 0.93880900 0.16235200 1.0 O O28 1 0.74965400 0.16198400 0.18050400 1.0 O O29 1 0.24965400 0.83801600 0.18050400 1.0 O O30 1 0.98248700 0.83730300 0.20920200 1.0 O O31 1 0.48248700 0.16269700 0.20920200 1.0 O O32 1 0.98248700 0.33730300 0.29079800 1.0 O O33 1 0.48248700 0.66269700 0.29079800 1.0 O O34 1 0.74965400 0.66198400 0.31949600 1.0 O O35 1 0.24965400 0.33801600 0.31949600 1.0 O O36 1 0.61446000 0.43880900 0.33764800 1.0 O O37 1 0.11446000 0.56119100 0.33764800 1.0 O O38 1 0.67916900 0.13505700 0.41721100 1.0 O O39 1 0.17916900 0.86494300 0.41721100 1.0 O O40 1 0.36162000 0.04761200 0.44366100 1.0 O O41 1 0.86162000 0.95238800 0.44366100 1.0 O O42 1 0.57710100 0.63090400 0.46878700 1.0 O O43 1 0.07710100 0.36909600 0.46878700 1.0 O O44 1 0.42289900 0.36909600 0.53121300 1.0 O O45 1 0.92289900 0.63090400 0.53121300 1.0 O O46 1 0.13838000 0.04761200 0.55633900 1.0 O O47 1 0.63838000 0.95238800 0.55633900 1.0 O O48 1 0.82083100 0.13505700 0.58278900 1.0 O O49 1 0.32083100 0.86494300 0.58278900 1.0 O O50 1 0.88554000 0.43880900 0.66235200 1.0 O O51 1 0.38554000 0.56119100 0.66235200 1.0 O O52 1 0.25034600 0.33801600 0.68050400 1.0 O O53 1 0.75034600 0.66198400 0.68050400 1.0 O O54 1 0.51751300 0.33730300 0.70920200 1.0 O O55 1 0.01751300 0.66269700 0.70920200 1.0 O O56 1 0.01751300 0.16269700 0.79079800 1.0 O O57 1 0.51751300 0.83730300 0.79079800 1.0 O O58 1 0.75034600 0.16198400 0.81949600 1.0 O O59 1 0.25034600 0.83801600 0.81949600 1.0 O O60 1 0.38554000 0.06119100 0.83764800 1.0 O O61 1 0.88554000 0.93880900 0.83764800 1.0 O O62 1 0.32083100 0.36494300 0.91721100 1.0 O O63 1 0.82083100 0.63505700 0.91721100 1.0 O O64 1 0.63838000 0.45238800 0.94366100 1.0 O O65 1 0.13838000 0.54761200 0.94366100 1.0 O O66 1 0.92289900 0.13090400 0.96878700 1.0 O O67 1 0.42289900 0.86909600 0.96878700 1.0