# generated using pymatgen data_Li3TiV2O6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.94338510 _cell_length_b 6.01983518 _cell_length_c 13.16993882 _cell_angle_alpha 103.93498673 _cell_angle_beta 89.99740800 _cell_angle_gamma 90.00804416 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li3TiV2O6 _chemical_formula_sum 'Li6 Ti2 V4 O12' _cell_volume 226.48640066 _cell_formula_units_Z 2 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 0.49764800 0.83384300 0.16681400 1.0 Li Li1 1 0.99765400 0.83383900 0.66681600 1.0 Li Li2 1 0.49616600 0.50689000 0.49968700 1.0 Li Li3 1 0.99618600 0.50679600 0.99963400 1.0 Li Li4 1 0.99880200 0.15924900 0.33351400 1.0 Li Li5 1 0.49880400 0.15920500 0.83346900 1.0 Ti Ti6 1 0.49826000 0.33346100 0.16672000 1.0 Ti Ti7 1 0.99826600 0.33348200 0.66672800 1.0 V V8 1 0.49800600 0.67103000 0.83400800 1.0 V V9 1 0.49831200 0.99545500 0.49934500 1.0 V V10 1 0.99801400 0.67103600 0.33396900 1.0 V V11 1 0.99824700 0.99543300 0.99936400 1.0 O O12 1 0.49823300 0.24714400 0.01029500 1.0 O O13 1 0.99827900 0.24711200 0.51028800 1.0 O O14 1 0.49803500 0.41914800 0.32303500 1.0 O O15 1 0.99802600 0.41925900 0.82309300 1.0 O O16 1 0.49812400 0.90974800 0.33442600 1.0 O O17 1 0.99810200 0.90981900 0.83445600 1.0 O O18 1 0.99813600 0.75675900 0.49888500 1.0 O O19 1 0.49808500 0.75685600 0.99892700 1.0 O O20 1 0.99808800 0.56440500 0.16747900 1.0 O O21 1 0.49809200 0.56446900 0.66750800 1.0 O O22 1 0.99826100 0.10227900 0.16586700 1.0 O O23 1 0.49827200 0.10228000 0.66588000 1.0