# generated using pymatgen data_Li14Ti21O48 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.97534046 _cell_length_b 5.97534046 _cell_length_c 29.23675208 _cell_angle_alpha 89.94185270 _cell_angle_beta 89.94185270 _cell_angle_gamma 60.01494276 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li14Ti21O48 _chemical_formula_sum 'Li14 Ti21 O48' _cell_volume 904.17010339 _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 0.66625900 0.66625900 0.16514400 1.0 Li Li1 1 0.66720200 0.66720200 0.04251800 1.0 Li Li2 1 0.33317600 0.33317600 0.33216300 1.0 Li Li3 1 0.33355900 0.33355900 0.20904200 1.0 Li Li4 1 0.00006900 0.00006900 0.18718800 1.0 Li Li5 1 0.00013300 0.00013300 0.37614900 1.0 Li Li6 1 0.99975800 0.99975800 0.49880300 1.0 Li Li7 1 0.66298400 0.66298400 0.66770200 1.0 Li Li8 1 0.66821600 0.66821600 0.54375300 1.0 Li Li9 1 0.33568700 0.33568700 0.70922900 1.0 Li Li10 1 0.33224300 0.33224300 0.52144900 1.0 Li Li11 1 0.33126500 0.33126500 0.83221300 1.0 Li Li12 1 0.00289500 0.00289500 0.87368200 1.0 Li Li13 1 0.83349900 0.83349900 0.77063200 1.0 Ti Ti14 1 0.16192100 0.67517800 0.10615300 1.0 Ti Ti15 1 0.67517800 0.16192100 0.10615300 1.0 Ti Ti16 1 0.33571700 0.33571700 0.02126900 1.0 Ti Ti17 1 0.16264900 0.16264900 0.10599300 1.0 Ti Ti18 1 0.83680500 0.32639500 0.26872100 1.0 Ti Ti19 1 0.32639500 0.83680500 0.26872100 1.0 Ti Ti20 1 0.49646400 0.00705500 0.43958400 1.0 Ti Ti21 1 0.83677900 0.83677900 0.26870300 1.0 Ti Ti22 1 0.00705500 0.49646400 0.43958400 1.0 Ti Ti23 1 0.66666800 0.66666800 0.35419100 1.0 Ti Ti24 1 0.17108600 0.66096200 0.60148900 1.0 Ti Ti25 1 0.49648900 0.49648900 0.43962800 1.0 Ti Ti26 1 0.66096200 0.17108600 0.60148900 1.0 Ti Ti27 1 0.16870500 0.16870500 0.60367700 1.0 Ti Ti28 1 0.83356500 0.33237800 0.77032700 1.0 Ti Ti29 1 0.33237800 0.83356500 0.77032700 1.0 Ti Ti30 1 0.98727000 0.98727000 0.68984000 1.0 Ti Ti31 1 0.49658700 0.00073900 0.93860200 1.0 Ti Ti32 1 0.00073900 0.49658700 0.93860200 1.0 Ti Ti33 1 0.67852600 0.67852600 0.85015100 1.0 Ti Ti34 1 0.49995300 0.49995300 0.93698500 1.0 O O35 1 0.48100500 0.48100500 0.06468900 1.0 O O36 1 0.03915400 0.48070100 0.06479300 1.0 O O37 1 0.33327800 0.33327800 0.14031200 1.0 O O38 1 0.48070100 0.03915400 0.06479300 1.0 O O39 1 0.15468800 0.15468800 0.23513800 1.0 O O40 1 0.84448000 0.31052900 0.14008600 1.0 O O41 1 0.31052900 0.84448000 0.14008600 1.0 O O42 1 0.99997700 0.99997700 0.30628900 1.0 O O43 1 0.69107900 0.15466200 0.23509300 1.0 O O44 1 0.99995700 0.99995700 0.07082800 1.0 O O45 1 0.15466200 0.69107900 0.23509300 1.0 O O46 1 0.84443200 0.84443200 0.14017300 1.0 O O47 1 0.81411600 0.81411600 0.39774700 1.0 O O48 1 0.51928000 0.96148500 0.31055200 1.0 O O49 1 0.96148500 0.51928000 0.31055200 1.0 O O50 1 0.66659900 0.66659900 0.47359200 1.0 O O51 1 0.66670300 0.66670300 0.23486000 1.0 O O52 1 0.37185200 0.81405200 0.39777800 1.0 O O53 1 0.51919400 0.51919400 0.31058000 1.0 O O54 1 0.81405200 0.37185100 0.39777800 1.0 O O55 1 0.48820600 0.48820600 0.56809100 1.0 O O56 1 0.17853700 0.64242400 0.47324600 1.0 O O57 1 0.64242400 0.17853700 0.47324600 1.0 O O58 1 0.33335100 0.33335100 0.40206400 1.0 O O59 1 0.02517800 0.48874900 0.56869500 1.0 O O60 1 0.33426900 0.33426900 0.63923100 1.0 O O61 1 0.48874900 0.02517800 0.56869500 1.0 O O62 1 0.17850000 0.17850000 0.47321500 1.0 O O63 1 0.15061600 0.15061600 0.73028000 1.0 O O64 1 0.85340900 0.29312500 0.64201700 1.0 O O65 1 0.29312500 0.85340900 0.64201700 1.0 O O66 1 0.01195400 0.01195400 0.80521300 1.0 O O67 1 0.70353100 0.16430600 0.72827000 1.0 O O68 1 0.99933100 0.99933100 0.56738000 1.0 O O69 1 0.16430600 0.70353100 0.72827000 1.0 O O70 1 0.85081200 0.85081200 0.64333400 1.0 O O71 1 0.50350400 0.96385700 0.81302900 1.0 O O72 1 0.81636300 0.81636300 0.89835100 1.0 O O73 1 0.96385700 0.50350400 0.81302900 1.0 O O74 1 0.66697800 0.66697800 0.97327300 1.0 O O75 1 0.65496000 0.65496000 0.73624200 1.0 O O76 1 0.36885000 0.81549700 0.89956700 1.0 O O77 1 0.81549700 0.36885000 0.89956700 1.0 O O78 1 0.51690600 0.51690600 0.81144400 1.0 O O79 1 0.18765700 0.62306900 0.97651900 1.0 O O80 1 0.62306900 0.18765700 0.97651900 1.0 O O81 1 0.33284500 0.33284500 0.90196400 1.0 O O82 1 0.18715700 0.18715700 0.97656100 1.0