# generated using pymatgen data_Li2TiNb3O8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.65624900 _cell_length_b 8.66262378 _cell_length_c 8.66583209 _cell_angle_alpha 89.62290661 _cell_angle_beta 89.14719958 _cell_angle_gamma 89.89781153 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li2TiNb3O8 _chemical_formula_sum 'Li8 Ti4 Nb12 O32' _cell_volume 649.72762427 _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 0.00618300 0.01010000 0.01526900 1.0 Li Li1 1 0.23575600 0.23824000 0.23656800 1.0 Li Li2 1 0.75856800 0.75214400 0.25223000 1.0 Li Li3 1 0.99155800 0.50712900 0.47969500 1.0 Li Li4 1 0.48826800 0.98678200 0.49910300 1.0 Li Li5 1 0.25211300 0.76099700 0.74980700 1.0 Li Li6 1 0.75300200 0.25102200 0.76160100 1.0 Li Li7 1 0.50737900 0.48789700 0.00062700 1.0 Ti Ti8 1 0.88357100 0.38355100 0.11402700 1.0 Ti Ti9 1 0.12443700 0.87949800 0.38955100 1.0 Ti Ti10 1 0.62342700 0.61847400 0.62441600 1.0 Ti Ti11 1 0.37500100 0.13531000 0.86889600 1.0 Nb Nb12 1 0.13403300 0.63502100 0.11475000 1.0 Nb Nb13 1 0.36630700 0.86531000 0.11697700 1.0 Nb Nb14 1 0.62826500 0.12163500 0.13096300 1.0 Nb Nb15 1 0.38462700 0.59990000 0.38680600 1.0 Nb Nb16 1 0.60099600 0.38010900 0.38956100 1.0 Nb Nb17 1 0.86653300 0.12948100 0.37565000 1.0 Nb Nb18 1 0.37396800 0.37325900 0.62030200 1.0 Nb Nb19 1 0.12973500 0.14486400 0.63650600 1.0 Nb Nb20 1 0.86519200 0.86808200 0.64413100 1.0 Nb Nb21 1 0.13817700 0.36485200 0.85043500 1.0 Nb Nb22 1 0.86475000 0.64572400 0.86400900 1.0 Nb Nb23 1 0.64539800 0.86276400 0.86743000 1.0 O O24 1 0.10885300 0.38717900 0.10877900 1.0 O O25 1 0.88676300 0.61339400 0.11405000 1.0 O O26 1 0.61946000 0.88435700 0.11882600 1.0 O O27 1 0.12712000 0.87495200 0.14767900 1.0 O O28 1 0.38576200 0.11192800 0.10776000 1.0 O O29 1 0.37732800 0.62507000 0.13914700 1.0 O O30 1 0.64155300 0.35824200 0.13902400 1.0 O O31 1 0.86934400 0.14877000 0.13158400 1.0 O O32 1 0.13511000 0.64175800 0.35329800 1.0 O O33 1 0.35329000 0.86132600 0.35848000 1.0 O O34 1 0.62259600 0.13021200 0.37435700 1.0 O O35 1 0.62200200 0.62598100 0.38763100 1.0 O O36 1 0.86153600 0.36274800 0.35426500 1.0 O O37 1 0.36115500 0.35962800 0.36859400 1.0 O O38 1 0.11174100 0.10785600 0.38697500 1.0 O O39 1 0.89201800 0.89181800 0.38362600 1.0 O O40 1 0.38607400 0.62269500 0.62390500 1.0 O O41 1 0.62475400 0.38582700 0.62674500 1.0 O O42 1 0.88396900 0.11809800 0.61887300 1.0 O O43 1 0.37147700 0.12044800 0.63890400 1.0 O O44 1 0.11469900 0.88646500 0.60998300 1.0 O O45 1 0.12188300 0.39056800 0.61231100 1.0 O O46 1 0.85844500 0.62807500 0.62182300 1.0 O O47 1 0.62495800 0.85980700 0.62786300 1.0 O O48 1 0.37871500 0.36155300 0.87396100 1.0 O O49 1 0.14198000 0.11979400 0.87649900 1.0 O O50 1 0.88824300 0.88933000 0.88397200 1.0 O O51 1 0.89121900 0.38653700 0.89184400 1.0 O O52 1 0.62549500 0.62238500 0.86285200 1.0 O O53 1 0.11912000 0.62131100 0.88523600 1.0 O O54 1 0.38575500 0.88817400 0.89123600 1.0 O O55 1 0.61047600 0.11171200 0.89061100 1.0