# generated using pymatgen data_Li2TiMn3O8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.73406975 _cell_length_b 5.73406975 _cell_length_c 9.47238200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999713 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li2TiMn3O8 _chemical_formula_sum 'Li4 Ti2 Mn6 O16' _cell_volume 269.72163973 _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 0.33333300 0.66666700 0.89713400 1.0 Li Li1 1 0.00000000 0.00000000 0.99511800 1.0 Li Li2 1 0.00000000 0.00000000 0.49511800 1.0 Li Li3 1 0.66666700 0.33333300 0.39713400 1.0 Ti Ti4 1 0.33333300 0.66666700 0.49469900 1.0 Ti Ti5 1 0.66666700 0.33333300 0.99469900 1.0 Mn Mn6 1 0.17116500 0.34233000 0.21521200 1.0 Mn Mn7 1 0.65767000 0.82883500 0.21521200 1.0 Mn Mn8 1 0.17116500 0.82883500 0.21521200 1.0 Mn Mn9 1 0.82883500 0.17116500 0.71521200 1.0 Mn Mn10 1 0.34233000 0.17116500 0.71521200 1.0 Mn Mn11 1 0.82883500 0.65767000 0.71521200 1.0 O O12 1 0.16570000 0.33140100 0.59855300 1.0 O O13 1 0.48079900 0.51920100 0.33710600 1.0 O O14 1 0.33333300 0.66666700 0.10718900 1.0 O O15 1 0.00000000 0.00000000 0.30793200 1.0 O O16 1 0.00000000 0.00000000 0.80793200 1.0 O O17 1 0.66859900 0.83430000 0.59855300 1.0 O O18 1 0.03840200 0.51920100 0.33710600 1.0 O O19 1 0.48079900 0.96159800 0.33710600 1.0 O O20 1 0.83430000 0.16570000 0.09855300 1.0 O O21 1 0.16570000 0.83430000 0.59855300 1.0 O O22 1 0.51920100 0.03840200 0.83710600 1.0 O O23 1 0.96159800 0.48079900 0.83710600 1.0 O O24 1 0.66666700 0.33333300 0.60718900 1.0 O O25 1 0.33140100 0.16570000 0.09855300 1.0 O O26 1 0.51920100 0.48079900 0.83710600 1.0 O O27 1 0.83430000 0.66859900 0.09855300 1.0