# generated using pymatgen data_Li4Mn5Ni3O16 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.80788299 _cell_length_b 5.80788299 _cell_length_c 9.36856846 _cell_angle_alpha 88.35905838 _cell_angle_beta 88.35905838 _cell_angle_gamma 59.32458060 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li4Mn5Ni3O16 _chemical_formula_sum 'Li4 Mn5 Ni3 O16' _cell_volume 271.64856797 _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 0.66310000 0.66310000 0.10300100 1.0 Li Li1 1 0.99414800 0.99414800 0.00903700 1.0 Li Li2 1 0.00140200 0.00140200 0.50335200 1.0 Li Li3 1 0.33312800 0.33312800 0.60077900 1.0 Mn Mn4 1 0.33905400 0.83170300 0.78642100 1.0 Mn Mn5 1 0.67153300 0.67153300 0.51290200 1.0 Mn Mn6 1 0.83170300 0.33905400 0.78642100 1.0 Mn Mn7 1 0.17256400 0.17256400 0.28493100 1.0 Mn Mn8 1 0.33731300 0.33731300 0.01691400 1.0 Ni Ni9 1 0.82974200 0.82974200 0.78809300 1.0 Ni Ni10 1 0.16899400 0.66201700 0.28844500 1.0 Ni Ni11 1 0.66201700 0.16899400 0.28844500 1.0 O O12 1 0.34185400 0.84102400 0.40227300 1.0 O O13 1 0.51914900 0.51914900 0.66277400 1.0 O O14 1 0.65798700 0.65798700 0.89410600 1.0 O O15 1 0.00515700 0.00515700 0.69264600 1.0 O O16 1 0.00378400 0.00378400 0.19880000 1.0 O O17 1 0.84102400 0.34185400 0.40227300 1.0 O O18 1 0.50867400 0.96127700 0.65380700 1.0 O O19 1 0.96127700 0.50867400 0.65380700 1.0 O O20 1 0.16299600 0.16299600 0.89791900 1.0 O O21 1 0.83724400 0.83724400 0.40678400 1.0 O O22 1 0.03516900 0.47193500 0.15259800 1.0 O O23 1 0.47193500 0.03516900 0.15259800 1.0 O O24 1 0.33078400 0.33078400 0.38959100 1.0 O O25 1 0.17466000 0.66695000 0.90427800 1.0 O O26 1 0.47633900 0.47633900 0.15488200 1.0 O O27 1 0.66695000 0.17466000 0.90427800 1.0