# generated using pymatgen data_Li2TiVO4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.84674003 _cell_length_b 9.51535528 _cell_length_c 5.84668256 _cell_angle_alpha 72.10365355 _cell_angle_beta 89.98748093 _cell_angle_gamma 72.10356585 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li2TiVO4 _chemical_formula_sum 'Li8 Ti4 V4 O16' _cell_volume 292.95882616 _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 0.62345700 0.25031900 0.62359100 1.0 Li Li1 1 0.12621800 0.25028800 0.12607800 1.0 Li Li2 1 0.37636400 0.74968900 0.87378500 1.0 Li Li3 1 0.87391100 0.74969300 0.37647400 1.0 Li Li4 1 0.00001200 0.99997400 0.50000200 1.0 Li Li5 1 0.49997000 0.00009100 0.99997200 1.0 Li Li6 1 0.74936600 0.50122000 0.74936700 1.0 Li Li7 1 0.25054000 0.49893500 0.25052800 1.0 Ti Ti8 1 0.62412800 0.25528500 0.12052200 1.0 Ti Ti9 1 0.12055400 0.25529700 0.62411500 1.0 Ti Ti10 1 0.37581200 0.74468800 0.37581300 1.0 Ti Ti11 1 0.87949100 0.74466700 0.87949400 1.0 V V12 1 0.75010300 0.49982200 0.25009300 1.0 V V13 1 0.50012000 0.99984000 0.50021500 1.0 V V14 1 0.25009900 0.49978200 0.75013600 1.0 V V15 1 0.99988500 0.00037000 0.99986200 1.0 O O16 1 0.50667900 0.48513500 0.00852800 1.0 O O17 1 0.00819400 0.48514800 0.50635900 1.0 O O18 1 0.26517300 0.98230900 0.26536200 1.0 O O19 1 0.75259800 0.98229200 0.75239400 1.0 O O20 1 0.73467400 0.01766200 0.24745300 1.0 O O21 1 0.24768100 0.01765400 0.73490300 1.0 O O22 1 0.49349800 0.51492500 0.49318600 1.0 O O23 1 0.99153600 0.51490200 0.99186200 1.0 O O24 1 0.87382100 0.25234500 0.37381200 1.0 O O25 1 0.37391600 0.25214300 0.87392700 1.0 O O26 1 0.62328800 0.75340800 0.62327900 1.0 O O27 1 0.12430400 0.75138600 0.12428700 1.0 O O28 1 0.37671800 0.24656800 0.37673600 1.0 O O29 1 0.87546400 0.24903600 0.87546700 1.0 O O30 1 0.12616500 0.74766000 0.62614800 1.0 O O31 1 0.62626300 0.74746700 0.12624800 1.0