# generated using pymatgen data_Li2Cu2(SO4)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.58778500 _cell_length_b 8.59295700 _cell_length_c 12.77888200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li2Cu2(SO4)3 _chemical_formula_sum 'Li8 Cu8 S12 O48' _cell_volume 943.01078899 _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 Li Li0 1 0.22249600 0.27626800 0.18591300 1.0 Li Li1 1 0.77750400 0.77626800 0.18591300 1.0 Li Li2 1 0.27750400 0.77626800 0.31408700 1.0 Li Li3 1 0.72249600 0.27626800 0.31408700 1.0 Li Li4 1 0.27750400 0.72373200 0.68591300 1.0 Li Li5 1 0.72249600 0.22373200 0.68591300 1.0 Li Li6 1 0.22249600 0.22373200 0.81408700 1.0 Li Li7 1 0.77750400 0.72373200 0.81408700 1.0 Cu Cu8 1 0.25010400 0.96082600 0.10741900 1.0 Cu Cu9 1 0.74989600 0.46082600 0.10741900 1.0 Cu Cu10 1 0.75010400 0.96082600 0.39258100 1.0 Cu Cu11 1 0.24989600 0.46082600 0.39258100 1.0 Cu Cu12 1 0.24989600 0.03917400 0.60741900 1.0 Cu Cu13 1 0.75010400 0.53917400 0.60741900 1.0 Cu Cu14 1 0.25010400 0.53917400 0.89258100 1.0 Cu Cu15 1 0.74989600 0.03917400 0.89258100 1.0 S S16 1 0.45693700 0.25000000 0.00000000 1.0 S S17 1 0.54306300 0.75000000 0.00000000 1.0 S S18 1 0.10019700 0.60795400 0.14357500 1.0 S S19 1 0.89980300 0.10795400 0.14357500 1.0 S S20 1 0.39980300 0.10795400 0.35642500 1.0 S S21 1 0.60019700 0.60795400 0.35642500 1.0 S S22 1 0.04306300 0.75000000 0.50000000 1.0 S S23 1 0.95693700 0.25000000 0.50000000 1.0 S S24 1 0.39980300 0.39204600 0.64357500 1.0 S S25 1 0.60019700 0.89204600 0.64357500 1.0 S S26 1 0.10019700 0.89204600 0.85642500 1.0 S S27 1 0.89980300 0.39204600 0.85642500 1.0 O O28 1 0.13382000 0.57878000 0.03345100 1.0 O O29 1 0.86618000 0.07878000 0.03345100 1.0 O O30 1 0.54792200 0.36518800 0.05886600 1.0 O O31 1 0.45207800 0.86518800 0.05886600 1.0 O O32 1 0.35405600 0.17198100 0.07967300 1.0 O O33 1 0.64594400 0.67198100 0.07967300 1.0 O O34 1 0.07286900 0.11355800 0.16053300 1.0 O O35 1 0.92713100 0.61355800 0.16053300 1.0 O O36 1 0.16475900 0.76256200 0.17910800 1.0 O O37 1 0.83524100 0.26256200 0.17910800 1.0 O O38 1 0.83286700 0.98575600 0.21200700 1.0 O O39 1 0.16713300 0.48575600 0.21200700 1.0 O O40 1 0.33286700 0.98575600 0.28799300 1.0 O O41 1 0.66713300 0.48575600 0.28799300 1.0 O O42 1 0.66475900 0.76256200 0.32089200 1.0 O O43 1 0.33524100 0.26256200 0.32089200 1.0 O O44 1 0.42713100 0.61355800 0.33946700 1.0 O O45 1 0.57286900 0.11355800 0.33946700 1.0 O O46 1 0.14594400 0.67198100 0.42032700 1.0 O O47 1 0.85405600 0.17198100 0.42032700 1.0 O O48 1 0.04792200 0.36518800 0.44113400 1.0 O O49 1 0.95207800 0.86518800 0.44113400 1.0 O O50 1 0.63382000 0.57878000 0.46654900 1.0 O O51 1 0.36618000 0.07878000 0.46654900 1.0 O O52 1 0.36618000 0.42122000 0.53345100 1.0 O O53 1 0.63382000 0.92122000 0.53345100 1.0 O O54 1 0.04792200 0.13481200 0.55886600 1.0 O O55 1 0.95207800 0.63481200 0.55886600 1.0 O O56 1 0.14594400 0.82801900 0.57967300 1.0 O O57 1 0.85405600 0.32801900 0.57967300 1.0 O O58 1 0.42713100 0.88644200 0.66053300 1.0 O O59 1 0.57286900 0.38644200 0.66053300 1.0 O O60 1 0.33524100 0.23743800 0.67910800 1.0 O O61 1 0.66475900 0.73743800 0.67910800 1.0 O O62 1 0.33286700 0.51424400 0.71200700 1.0 O O63 1 0.66713300 0.01424400 0.71200700 1.0 O O64 1 0.16713300 0.01424400 0.78799300 1.0 O O65 1 0.83286700 0.51424400 0.78799300 1.0 O O66 1 0.16475900 0.73743800 0.82089200 1.0 O O67 1 0.83524100 0.23743800 0.82089200 1.0 O O68 1 0.07286900 0.38644200 0.83946700 1.0 O O69 1 0.92713100 0.88644200 0.83946700 1.0 O O70 1 0.35405600 0.32801900 0.92032700 1.0 O O71 1 0.64594400 0.82801900 0.92032700 1.0 O O72 1 0.45207800 0.63481200 0.94113400 1.0 O O73 1 0.54792200 0.13481200 0.94113400 1.0 O O74 1 0.13382000 0.92122000 0.96654900 1.0 O O75 1 0.86618000 0.42122000 0.96654900 1.0