# generated using pymatgen data_Li2Ti3FeO8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.88859960 _cell_length_b 5.88859960 _cell_length_c 5.88859979 _cell_angle_alpha 61.08683270 _cell_angle_beta 61.08683270 _cell_angle_gamma 61.08683158 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li2Ti3FeO8 _chemical_formula_sum 'Li2 Ti3 Fe1 O8' _cell_volume 147.91723604 _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 0.87956800 0.87956800 0.87956800 1.0 Li Li1 1 0.12043200 0.12043200 0.12043200 1.0 Ti Ti2 1 0.00000000 0.50000000 0.50000000 1.0 Ti Ti3 1 0.50000000 0.00000000 0.50000000 1.0 Ti Ti4 1 0.50000000 0.50000000 0.00000000 1.0 Fe Fe5 1 0.50000000 0.50000000 0.50000000 1.0 O O6 1 0.74033300 0.74033300 0.74033300 1.0 O O7 1 0.74359000 0.74359000 0.28883400 1.0 O O8 1 0.74359000 0.28883400 0.74359000 1.0 O O9 1 0.28883400 0.74359000 0.74359000 1.0 O O10 1 0.71116600 0.25641000 0.25641000 1.0 O O11 1 0.25641000 0.71116600 0.25641000 1.0 O O12 1 0.25641000 0.25641000 0.71116600 1.0 O O13 1 0.25966700 0.25966700 0.25966700 1.0