# generated using pymatgen data_Li2Ti3VO8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.98740201 _cell_length_b 10.42126484 _cell_length_c 10.38727438 _cell_angle_alpha 80.16278224 _cell_angle_beta 73.25038698 _cell_angle_gamma 89.99906881 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li2Ti3VO8 _chemical_formula_sum 'Li8 Ti12 V4 O32' _cell_volume 610.67187164 _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 0.96959900 0.15201700 0.06079000 1.0 Li Li1 1 0.71958000 0.40200000 0.56082900 1.0 Li Li2 1 0.46959900 0.65202100 0.06079200 1.0 Li Li3 1 0.21958500 0.90200200 0.56082000 1.0 Li Li4 1 0.78042100 0.09800100 0.43917100 1.0 Li Li5 1 0.53040200 0.34798300 0.93921000 1.0 Li Li6 1 0.28041500 0.59799800 0.43918100 1.0 Li Li7 1 0.03040200 0.84797900 0.93920800 1.0 Ti Ti8 1 0.62488500 0.37500800 0.25006300 1.0 Ti Ti9 1 0.37511400 0.62498800 0.74993500 1.0 Ti Ti10 1 0.12488800 0.87501500 0.25006500 1.0 Ti Ti11 1 0.87511200 0.12499000 0.74993800 1.0 Ti Ti12 1 0.12504600 0.37500500 0.25006500 1.0 Ti Ti13 1 0.87495500 0.62498900 0.74993400 1.0 Ti Ti14 1 0.62504700 0.87501200 0.25006600 1.0 Ti Ti15 1 0.37495100 0.12499200 0.74993700 1.0 Ti Ti16 1 0.00000100 0.49999400 0.99999700 1.0 Ti Ti17 1 0.74999900 0.74999700 0.49999900 1.0 Ti Ti18 1 0.49999800 0.00000500 0.00000400 1.0 Ti Ti19 1 0.25000100 0.25000200 0.50000100 1.0 V V20 1 0.37516900 0.12475400 0.24968200 1.0 V V21 1 0.12483300 0.37524800 0.75031500 1.0 V V22 1 0.87516000 0.62475600 0.24967400 1.0 V V23 1 0.62483500 0.87524600 0.75032300 1.0 O O24 1 0.93451100 0.32719900 0.13099600 1.0 O O25 1 0.68455200 0.57716700 0.63091700 1.0 O O26 1 0.43451000 0.82719300 0.13099900 1.0 O O27 1 0.18455400 0.07716400 0.63091700 1.0 O O28 1 0.81544600 0.92283400 0.36908300 1.0 O O29 1 0.56548800 0.17280200 0.86900300 1.0 O O30 1 0.31544900 0.42283600 0.36908200 1.0 O O31 1 0.06548600 0.67280700 0.86900400 1.0 O O32 1 0.82210300 0.43235500 0.35581100 1.0 O O33 1 0.57212800 0.68238400 0.85574300 1.0 O O34 1 0.32210500 0.93236800 0.35580800 1.0 O O35 1 0.07213200 0.18239700 0.85573500 1.0 O O36 1 0.70771200 0.54668100 0.12713100 1.0 O O37 1 0.45825200 0.79678600 0.62716800 1.0 O O38 1 0.20772900 0.04669100 0.12714000 1.0 O O39 1 0.95825000 0.29679000 0.62716700 1.0 O O40 1 0.16516900 0.54668600 0.12713200 1.0 O O41 1 0.91459500 0.79679100 0.62716600 1.0 O O42 1 0.66514500 0.04669400 0.12714300 1.0 O O43 1 0.41458600 0.29679300 0.62716900 1.0 O O44 1 0.58540400 0.70321200 0.37283400 1.0 O O45 1 0.33483400 0.95331200 0.87287000 1.0 O O46 1 0.08541800 0.20320400 0.37283100 1.0 O O47 1 0.83485500 0.45330800 0.87285500 1.0 O O48 1 0.04175400 0.70321400 0.37283300 1.0 O O49 1 0.79228600 0.95331600 0.87287100 1.0 O O50 1 0.54174600 0.20320900 0.37283100 1.0 O O51 1 0.29227200 0.45331100 0.87285900 1.0 O O52 1 0.92786900 0.81761800 0.14425800 1.0 O O53 1 0.67789800 0.06764300 0.64419000 1.0 O O54 1 0.42786800 0.31760100 0.14426600 1.0 O O55 1 0.17789700 0.56763400 0.64419100 1.0