# generated using pymatgen data_Li16(CoO4)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.53781100 _cell_length_b 6.54618122 _cell_length_c 14.02860709 _cell_angle_alpha 90.11377730 _cell_angle_beta 90.01185238 _cell_angle_gamma 91.18804251 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li16(CoO4)3 _chemical_formula_sum 'Li32 Co6 O24' _cell_volume 600.26178871 _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 Li Li0 1 0.46438400 0.02902900 0.58816700 1.0 Li Li1 1 0.04571400 0.03721500 0.25914300 1.0 Li Li2 1 0.04412800 0.03878400 0.91505800 1.0 Li Li3 1 0.72890800 0.22186800 0.22867600 1.0 Li Li4 1 0.76874900 0.22903500 0.56728400 1.0 Li Li5 1 0.77869000 0.27303200 0.06189800 1.0 Li Li6 1 0.72929600 0.22503000 0.89590800 1.0 Li Li7 1 0.74822100 0.25013800 0.39564200 1.0 Li Li8 1 0.74812200 0.25067500 0.73098900 1.0 Li Li9 1 0.46246500 0.45533200 0.24601100 1.0 Li Li10 1 0.47357200 0.47586900 0.58341600 1.0 Li Li11 1 0.46316200 0.45338700 0.91089200 1.0 Li Li12 1 0.02508500 0.47694900 0.23906000 1.0 Li Li13 1 0.03053500 0.46737700 0.58116700 1.0 Li Li14 1 0.02222900 0.47384000 0.92517600 1.0 Li Li15 1 0.96683600 0.52734200 0.75162500 1.0 Li Li16 1 0.54472100 0.53574800 0.07671600 1.0 Li Li17 1 0.53826400 0.53173800 0.74594100 1.0 Li Li18 1 0.96564800 0.53426400 0.41011100 1.0 Li Li19 1 0.53627800 0.53807300 0.41694000 1.0 Li Li20 1 0.24665400 0.74269000 0.43774400 1.0 Li Li21 1 0.22626200 0.72250500 0.10402200 1.0 Li Li22 1 0.27587200 0.77277900 0.27098300 1.0 Li Li23 1 0.22739000 0.76868000 0.60130900 1.0 Li Li24 1 0.25229900 0.74403900 0.76988700 1.0 Li Li25 1 0.27541300 0.77185300 0.93722500 1.0 Li Li26 1 0.96445400 0.95605700 0.08921000 1.0 Li Li27 1 0.97169800 0.96769900 0.43380400 1.0 Li Li28 1 0.52155400 0.97965100 0.08225200 1.0 Li Li29 1 0.52318000 0.96795000 0.40972600 1.0 Li Li30 1 0.97283800 0.97417900 0.73574400 1.0 Li Li31 1 0.52446300 0.97904000 0.76305300 1.0 Co Co32 1 0.24546800 0.25407900 0.08276100 1.0 Co Co33 1 0.24944400 0.25153000 0.74942500 1.0 Co Co34 1 0.24771200 0.25311400 0.41730300 1.0 Co Co35 1 0.74340700 0.75738200 0.24856400 1.0 Co Co36 1 0.75616100 0.75764300 0.58433700 1.0 Co Co37 1 0.74574900 0.75535500 0.91740300 1.0 O O38 1 0.76248100 0.99906400 0.32234800 1.0 O O39 1 0.73000600 0.00794200 0.65881400 1.0 O O40 1 0.76622900 0.99904700 0.98897600 1.0 O O41 1 0.99924800 0.23598800 0.15569100 1.0 O O42 1 0.98699400 0.26570900 0.47502900 1.0 O O43 1 0.98706800 0.25303500 0.82158400 1.0 O O44 1 0.51183400 0.26435600 0.13843400 1.0 O O45 1 0.51016900 0.25379700 0.48235200 1.0 O O46 1 0.51168700 0.26456900 0.81158900 1.0 O O47 1 0.75474100 0.48476300 0.65169400 1.0 O O48 1 0.74267500 0.49078900 0.31150200 1.0 O O49 1 0.73894600 0.49301500 0.97429100 1.0 O O50 1 0.26188300 0.49998000 0.01255200 1.0 O O51 1 0.24687700 0.51482600 0.68007400 1.0 O O52 1 0.25383300 0.50753100 0.34347300 1.0 O O53 1 0.00663900 0.72797100 0.50944400 1.0 O O54 1 0.00893500 0.76332700 0.19446700 1.0 O O55 1 0.00915100 0.75325800 0.85304000 1.0 O O56 1 0.48751400 0.75259400 0.51147700 1.0 O O57 1 0.50167700 0.73563700 0.17785200 1.0 O O58 1 0.49961900 0.73498500 0.84793800 1.0 O O59 1 0.23489600 0.98801100 0.02794400 1.0 O O60 1 0.24105500 0.98999300 0.35982200 1.0 O O61 1 0.25866100 0.98300500 0.69170700 1.0