# generated using pymatgen data_LiCu2(SO4)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.65714800 _cell_length_b 8.38102000 _cell_length_c 14.61201251 _cell_angle_alpha 56.49279647 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiCu2(SO4)3 _chemical_formula_sum 'Li4 Cu8 S12 O48' _cell_volume 883.99986608 _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 0.71757500 0.63105000 0.18100800 1.0 Li Li1 1 0.21757500 0.36895000 0.31899200 1.0 Li Li2 1 0.78242500 0.63105000 0.68100800 1.0 Li Li3 1 0.28242500 0.36895000 0.81899200 1.0 Cu Cu4 1 0.96549200 0.13396400 0.61477300 1.0 Cu Cu5 1 0.53944800 0.35375700 0.39488500 1.0 Cu Cu6 1 0.46549200 0.86603600 0.88522700 1.0 Cu Cu7 1 0.03944800 0.64624300 0.10511500 1.0 Cu Cu8 1 0.96055200 0.35375700 0.89488500 1.0 Cu Cu9 1 0.53450800 0.13396400 0.11477300 1.0 Cu Cu10 1 0.46055200 0.64624300 0.60511500 1.0 Cu Cu11 1 0.03450800 0.86603600 0.38522700 1.0 S S12 1 0.24832000 0.47277500 0.49430100 1.0 S S13 1 0.11609100 0.05200900 0.84641500 1.0 S S14 1 0.38768600 0.75063600 0.14156100 1.0 S S15 1 0.88768600 0.24936400 0.35843900 1.0 S S16 1 0.61609100 0.94799100 0.65358500 1.0 S S17 1 0.74832000 0.52722500 0.00569900 1.0 S S18 1 0.25168000 0.47277500 0.99430100 1.0 S S19 1 0.38390900 0.05200900 0.34641500 1.0 S S20 1 0.11231400 0.75063600 0.64156100 1.0 S S21 1 0.61231400 0.24936400 0.85843900 1.0 S S22 1 0.88390900 0.94799100 0.15358500 1.0 S S23 1 0.75168000 0.52722500 0.50569900 1.0 O O24 1 0.62937600 0.51459100 0.43894500 1.0 O O25 1 0.63058000 0.05506900 0.88123500 1.0 O O26 1 0.91944700 0.75081600 0.17802000 1.0 O O27 1 0.80864500 0.33732700 0.59669500 1.0 O O28 1 0.12661700 0.34828200 0.57152900 1.0 O O29 1 0.28563500 0.06292000 0.82423100 1.0 O O30 1 0.08155600 0.90552900 0.96078900 1.0 O O31 1 0.50745100 0.63969300 0.22578000 1.0 O O32 1 0.31671700 0.38195600 0.43884900 1.0 O O33 1 0.23748600 0.64447900 0.18473300 1.0 O O34 1 0.43510200 0.75400300 0.04301600 1.0 O O35 1 0.02184900 0.01769100 0.77442500 1.0 O O36 1 0.52184900 0.98230900 0.72557500 1.0 O O37 1 0.93510200 0.24599700 0.45698400 1.0 O O38 1 0.73748600 0.35552100 0.31526700 1.0 O O39 1 0.81671700 0.61804400 0.06115100 1.0 O O40 1 0.58155600 0.09447100 0.53921100 1.0 O O41 1 0.00745100 0.36030700 0.27422000 1.0 O O42 1 0.78563500 0.93708000 0.67576900 1.0 O O43 1 0.62661700 0.65171800 0.92847100 1.0 O O44 1 0.30864500 0.66267300 0.90330500 1.0 O O45 1 0.13058000 0.94493100 0.61876500 1.0 O O46 1 0.41944700 0.24918400 0.32198000 1.0 O O47 1 0.12937600 0.48540900 0.06105500 1.0 O O48 1 0.87062400 0.51459100 0.93894500 1.0 O O49 1 0.58055300 0.75081600 0.67802000 1.0 O O50 1 0.86942000 0.05506900 0.38123500 1.0 O O51 1 0.69135500 0.33732700 0.09669500 1.0 O O52 1 0.37338300 0.34828200 0.07152900 1.0 O O53 1 0.21436500 0.06292000 0.32423100 1.0 O O54 1 0.99254900 0.63969300 0.72578000 1.0 O O55 1 0.41844400 0.90552900 0.46078900 1.0 O O56 1 0.18328300 0.38195600 0.93884900 1.0 O O57 1 0.26251400 0.64447900 0.68473300 1.0 O O58 1 0.06489800 0.75400300 0.54301600 1.0 O O59 1 0.47815100 0.01769100 0.27442500 1.0 O O60 1 0.97815100 0.98230900 0.22557500 1.0 O O61 1 0.56489800 0.24599700 0.95698400 1.0 O O62 1 0.76251400 0.35552100 0.81526700 1.0 O O63 1 0.68328300 0.61804400 0.56115100 1.0 O O64 1 0.49254900 0.36030700 0.77422000 1.0 O O65 1 0.91844400 0.09447100 0.03921100 1.0 O O66 1 0.71436500 0.93708000 0.17576900 1.0 O O67 1 0.87338300 0.65171800 0.42847100 1.0 O O68 1 0.19135500 0.66267300 0.40330500 1.0 O O69 1 0.08055300 0.24918400 0.82198000 1.0 O O70 1 0.36942000 0.94493100 0.11876500 1.0 O O71 1 0.37062400 0.48540900 0.56105500 1.0