# generated using pymatgen data_Li10Ti11Cr9O40 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.95285025 _cell_length_b 5.95717789 _cell_length_c 24.58700999 _cell_angle_alpha 90.23136797 _cell_angle_beta 97.03606091 _cell_angle_gamma 119.75220941 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li10Ti11Cr9O40 _chemical_formula_sum 'Li10 Ti11 Cr9 O40' _cell_volume 749.14399779 _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 0.84990200 0.67646400 0.02416400 1.0 Li Li1 1 0.94950600 0.72330100 0.17495700 1.0 Li Li2 1 0.45049400 0.47669900 0.42504300 1.0 Li Li3 1 0.24997300 0.87636100 0.62546300 1.0 Li Li4 1 0.65148100 0.07724200 0.22548000 1.0 Li Li5 1 0.74851900 0.12275900 0.37452000 1.0 Li Li6 1 0.55009800 0.52353600 0.57583600 1.0 Li Li7 1 0.35131800 0.92372300 0.77553000 1.0 Li Li8 1 0.04868200 0.27627700 0.82447000 1.0 Li Li9 1 0.15002700 0.32363900 0.97453700 1.0 Ti Ti10 1 0.20000000 0.60000000 0.30000000 1.0 Ti Ti11 1 0.49263700 0.99838600 0.99928800 1.0 Ti Ti12 1 0.40250500 0.20519000 0.10134200 1.0 Ti Ti13 1 0.90254700 0.20248700 0.10060400 1.0 Ti Ti14 1 0.70000000 0.60000000 0.30000000 1.0 Ti Ti15 1 0.99749500 0.99481000 0.49865800 1.0 Ti Ti16 1 0.49745300 0.99751300 0.49939600 1.0 Ti Ti17 1 0.60192500 0.80180500 0.89994300 1.0 Ti Ti18 1 0.79807500 0.39819500 0.70005700 1.0 Ti Ti19 1 0.90736300 0.20161400 0.60071200 1.0 Ti Ti20 1 0.70000000 0.60000000 0.80000000 1.0 Cr Cr21 1 0.39976500 0.69990800 0.09950300 1.0 Cr Cr22 1 0.30029600 0.40087600 0.20039100 1.0 Cr Cr23 1 0.09970400 0.79912400 0.39960900 1.0 Cr Cr24 1 0.20000000 0.10000000 0.30000000 1.0 Cr Cr25 1 0.00023500 0.50009200 0.50049700 1.0 Cr Cr26 1 0.30068800 0.40081500 0.70021400 1.0 Cr Cr27 1 0.09931200 0.79918500 0.89978600 1.0 Cr Cr28 1 0.79930800 0.89942500 0.70004200 1.0 Cr Cr29 1 0.60069200 0.30057500 0.89995800 1.0 O O30 1 0.23684000 0.87392000 0.05154400 1.0 O O31 1 0.68889700 0.87471000 0.05189400 1.0 O O32 1 0.00057400 0.74477000 0.25730000 1.0 O O33 1 0.20174700 0.34614000 0.05730300 1.0 O O34 1 0.10961400 0.52817800 0.14631300 1.0 O O35 1 0.36429500 0.92594700 0.34681100 1.0 O O36 1 0.11323600 0.07859400 0.14652200 1.0 O O37 1 0.56535100 0.52828700 0.14663200 1.0 O O38 1 0.48714400 0.72145700 0.25391100 1.0 O O39 1 0.68461200 0.31773600 0.05256800 1.0 O O40 1 0.03570500 0.27405300 0.25318900 1.0 O O41 1 0.39942600 0.45523000 0.34270000 1.0 O O42 1 0.29038600 0.67182200 0.45368700 1.0 O O43 1 0.49142900 0.27352200 0.25339100 1.0 O O44 1 0.19825300 0.85386000 0.54269700 1.0 O O45 1 0.59798100 0.05327100 0.14238200 1.0 O O46 1 0.90857100 0.92647800 0.34660900 1.0 O O47 1 0.16316000 0.32608000 0.54845600 1.0 O O48 1 0.71538800 0.88226400 0.54743200 1.0 O O49 1 0.91285600 0.47854300 0.34608900 1.0 O O50 1 0.28676400 0.12140600 0.45347800 1.0 O O51 1 0.07935900 0.51734000 0.65161100 1.0 O O52 1 0.83464900 0.67171300 0.45336800 1.0 O O53 1 0.08204400 0.06769800 0.65092400 1.0 O O54 1 0.71110300 0.32529000 0.54810600 1.0 O O55 1 0.80201900 0.14672900 0.45761800 1.0 O O56 1 0.51825200 0.73164000 0.74896200 1.0 O O57 1 0.60837600 0.54819800 0.65772600 1.0 O O58 1 0.40862400 0.94811100 0.85790500 1.0 O O59 1 0.96480100 0.72705000 0.74839900 1.0 O O60 1 0.52084700 0.28252200 0.74819700 1.0 O O61 1 0.32064100 0.68266000 0.94838900 1.0 O O62 1 0.43519900 0.47295000 0.85160100 1.0 O O63 1 0.87915300 0.91747800 0.85180300 1.0 O O64 1 0.63538400 0.07295300 0.65156400 1.0 O O65 1 0.88174800 0.46836000 0.85103800 1.0 O O66 1 0.99137600 0.25188900 0.74209500 1.0 O O67 1 0.79162400 0.65180200 0.94227400 1.0 O O68 1 0.31795600 0.13230200 0.94907600 1.0 O O69 1 0.76461600 0.12704700 0.94843600 1.0