# generated using pymatgen data_Li2TiVO4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.98521448 _cell_length_b 5.98823888 _cell_length_c 8.44399801 _cell_angle_alpha 90.00008714 _cell_angle_beta 89.99979751 _cell_angle_gamma 90.03992464 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li2TiVO4 _chemical_formula_sum 'Li8 Ti4 V4 O16' _cell_volume 302.64036443 _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 0.25000000 0.24999500 0.24998700 1.0 Li Li1 1 0.75000000 0.75000600 0.75001300 1.0 Li Li2 1 0.75000000 0.24999500 0.75001300 1.0 Li Li3 1 0.25000000 0.75000500 0.24998600 1.0 Li Li4 1 0.00000100 0.49999400 0.99999900 1.0 Li Li5 1 0.49999900 0.00000600 0.50000100 1.0 Li Li6 1 0.49999900 0.49999400 0.99999800 1.0 Li Li7 1 0.00000100 0.00000600 0.50000100 1.0 Ti Ti8 1 0.49999300 0.99999000 0.99999200 1.0 Ti Ti9 1 0.00000100 0.50000900 0.50000600 1.0 Ti Ti10 1 0.00000700 0.99999000 0.99999400 1.0 Ti Ti11 1 0.49999900 0.50000900 0.50000700 1.0 V V12 1 0.25000100 0.74999500 0.74999200 1.0 V V13 1 0.74999900 0.74999300 0.25001000 1.0 V V14 1 0.75000100 0.25000700 0.25001000 1.0 V V15 1 0.25000000 0.25000500 0.74999300 1.0 O O16 1 0.50072200 0.49987100 0.26520900 1.0 O O17 1 0.00071600 0.99986700 0.76520500 1.0 O O18 1 0.99927900 0.50013100 0.26520900 1.0 O O19 1 0.49928600 0.00013000 0.76520500 1.0 O O20 1 0.00072300 0.49987000 0.73479500 1.0 O O21 1 0.50071200 0.99986700 0.23479200 1.0 O O22 1 0.49927600 0.50013200 0.73479500 1.0 O O23 1 0.99928600 0.00013000 0.23479100 1.0 O O24 1 0.25018500 0.23002500 0.99955600 1.0 O O25 1 0.75018500 0.73002900 0.49955300 1.0 O O26 1 0.24981600 0.76997200 0.99955500 1.0 O O27 1 0.74981500 0.26997400 0.49955400 1.0 O O28 1 0.75018400 0.23002500 0.00044100 1.0 O O29 1 0.25018400 0.73003100 0.50044800 1.0 O O30 1 0.74981500 0.76997300 0.00044200 1.0 O O31 1 0.24981500 0.26997400 0.50044900 1.0