# generated using pymatgen data_Li4Ti3Fe5O16 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.86348462 _cell_length_b 5.90600846 _cell_length_c 9.60798531 _cell_angle_alpha 90.02065123 _cell_angle_beta 89.64424619 _cell_angle_gamma 120.60456085 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li4Ti3Fe5O16 _chemical_formula_sum 'Li4 Ti3 Fe5 O16' _cell_volume 286.36772961 _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 0.33862600 0.66530800 0.89168500 1.0 Li Li1 1 0.98677700 0.99442100 0.99646900 1.0 Li Li2 1 0.99077000 0.99101200 0.49647800 1.0 Li Li3 1 0.66983600 0.33534700 0.39689900 1.0 Ti Ti4 1 0.17327100 0.83316800 0.21473400 1.0 Ti Ti5 1 0.17383800 0.34101400 0.21677600 1.0 Ti Ti6 1 0.34078500 0.17827600 0.71473900 1.0 Fe Fe7 1 0.33865200 0.67611500 0.49253200 1.0 Fe Fe8 1 0.65784200 0.82971600 0.21237300 1.0 Fe Fe9 1 0.67655100 0.34093600 0.99210500 1.0 Fe Fe10 1 0.83081000 0.65798500 0.71303100 1.0 Fe Fe11 1 0.83095100 0.16827400 0.71398600 1.0 O O12 1 0.16493700 0.84091200 0.60202100 1.0 O O13 1 0.03808200 0.51973100 0.33471500 1.0 O O14 1 0.32426100 0.66217500 0.10235200 1.0 O O15 1 0.99828900 0.99906900 0.30968600 1.0 O O16 1 0.00450800 0.99318300 0.81121100 1.0 O O17 1 0.15795000 0.32377800 0.60179100 1.0 O O18 1 0.48108000 0.96394000 0.33625200 1.0 O O19 1 0.47946000 0.51765100 0.33684900 1.0 O O20 1 0.32773500 0.16348700 0.10059200 1.0 O O21 1 0.67248500 0.83066700 0.60425900 1.0 O O22 1 0.51672000 0.47647600 0.83726600 1.0 O O23 1 0.52739600 0.03876800 0.83500700 1.0 O O24 1 0.65905200 0.33290300 0.60237900 1.0 O O25 1 0.83776600 0.67561900 0.10371600 1.0 O O26 1 0.96385800 0.48687300 0.83444900 1.0 O O27 1 0.83771300 0.16349500 0.10348400 1.0