# generated using pymatgen data_LiMgCr7(SO4)12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.26222600 _cell_length_b 8.84715163 _cell_length_c 14.32294449 _cell_angle_alpha 105.68065928 _cell_angle_beta 90.05639195 _cell_angle_gamma 117.77644059 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiMgCr7(SO4)12 _chemical_formula_sum 'Li1 Mg1 Cr7 S12 O48' _cell_volume 881.89460601 _cell_formula_units_Z 1 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 0.03807100 0.93905300 0.71610800 1.0 Mg Mg1 1 0.68039600 0.71790000 0.67536300 1.0 Cr Cr2 1 0.07275700 0.30092700 0.07752700 1.0 Cr Cr3 1 0.17792800 0.71062000 0.17788000 1.0 Cr Cr4 1 0.58778600 0.31309600 0.57309900 1.0 Cr Cr5 1 0.32129600 0.28781800 0.32271700 1.0 Cr Cr6 1 0.42808700 0.70011900 0.42287600 1.0 Cr Cr7 1 0.82172200 0.28795500 0.82224000 1.0 Cr Cr8 1 0.92181200 0.69246000 0.92717100 1.0 S S9 1 0.81013000 0.78915000 0.23078800 1.0 S S10 1 0.09065200 0.50449200 0.37366000 1.0 S S11 1 0.72830600 0.20900200 0.02084900 1.0 S S12 1 0.77671200 0.79460100 0.47683000 1.0 S S13 1 0.40973700 0.49519800 0.12692600 1.0 S S14 1 0.30677700 0.79119600 0.73187100 1.0 S S15 1 0.69057300 0.21158600 0.26888600 1.0 S S16 1 0.58030600 0.49575800 0.87753400 1.0 S S17 1 0.24138900 0.22011600 0.51744600 1.0 S S18 1 0.27233800 0.78850800 0.98011800 1.0 S S19 1 0.91765300 0.49944400 0.62525300 1.0 S S20 1 0.18536700 0.20613000 0.77208900 1.0 O O21 1 0.85509900 0.40873800 0.25630400 1.0 O O22 1 0.24433900 0.81111400 0.05528800 1.0 O O23 1 0.85481600 0.97120600 0.16229800 1.0 O O24 1 0.36517300 0.62447700 0.14871200 1.0 O O25 1 0.69944700 0.74333400 0.32653500 1.0 O O26 1 0.04890700 0.85223400 0.18892300 1.0 O O27 1 0.07217900 0.61674600 0.30725100 1.0 O O28 1 0.85195100 0.34488200 0.47685400 1.0 O O29 1 0.49569800 0.99198000 0.11920100 1.0 O O30 1 0.55944200 0.72271200 0.48739600 1.0 O O31 1 0.80212000 0.63355600 0.48474900 1.0 O O32 1 0.19887300 0.31840800 0.14399400 1.0 O O33 1 0.29999300 0.68128500 0.35710400 1.0 O O34 1 0.70352600 0.36924900 0.01342300 1.0 O O35 1 0.35655100 0.40501800 0.75393400 1.0 O O36 1 0.94515700 0.27767100 0.00958300 1.0 O O37 1 0.00968400 0.01035100 0.37705800 1.0 O O38 1 0.74238100 0.81222800 0.55234500 1.0 O O39 1 0.64749600 0.65276100 0.02386900 1.0 O O40 1 0.42930100 0.38354900 0.19298900 1.0 O O41 1 0.33473300 0.96910100 0.66746100 1.0 O O42 1 0.87127900 0.62531800 0.64690000 1.0 O O43 1 0.45135600 0.14752200 0.31101900 1.0 O O44 1 0.80194800 0.25935800 0.17252600 1.0 O O45 1 0.19377700 0.74017600 0.82907100 1.0 O O46 1 0.54715300 0.86429500 0.68645900 1.0 O O47 1 0.13614400 0.37578400 0.35173600 1.0 O O48 1 0.64706500 0.02988600 0.33662200 1.0 O O49 1 0.57413200 0.61737100 0.80962900 1.0 O O50 1 0.34894100 0.34027800 0.98111100 1.0 O O51 1 0.25934500 0.18887200 0.44541300 1.0 O O52 1 0.01465900 0.00592300 0.61794700 1.0 O O53 1 0.05338100 0.71890200 0.99289400 1.0 O O54 1 0.64444100 0.59120700 0.24406100 1.0 O O55 1 0.29447700 0.62653000 0.98864200 1.0 O O56 1 0.70937800 0.32310300 0.64008700 1.0 O O57 1 0.80025000 0.67765800 0.85812900 1.0 O O58 1 0.21256300 0.37773300 0.50919300 1.0 O O59 1 0.46404700 0.29526500 0.50264400 1.0 O O60 1 0.50382700 0.00464300 0.88114700 1.0 O O61 1 0.15765300 0.65617400 0.52234300 1.0 O O62 1 0.92972100 0.37886900 0.69299000 1.0 O O63 1 0.94531400 0.14080300 0.81248100 1.0 O O64 1 0.28757700 0.23932800 0.67718400 1.0 O O65 1 0.62751700 0.36797700 0.85571000 1.0 O O66 1 0.13727400 0.02160500 0.84100500 1.0 O O67 1 0.76124700 0.19079000 0.94420000 1.0 O O68 1 0.14087400 0.59389800 0.74435400 1.0