# generated using pymatgen data_Li3Mn8O16 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.97233200 _cell_length_b 8.19738400 _cell_length_c 12.06236900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li3Mn8O16 _chemical_formula_sum 'Li6 Mn16 O32' _cell_volume 590.54341560 _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 0.50000000 0.12966700 0.00000000 1.0 Li Li1 1 0.00000000 0.62823700 0.24342000 1.0 Li Li2 1 0.00000000 0.62823700 0.75658000 1.0 Li Li3 1 0.50000000 0.37176300 0.25658000 1.0 Li Li4 1 0.00000000 0.87033300 0.50000000 1.0 Li Li5 1 0.50000000 0.37176300 0.74342000 1.0 Mn Mn6 1 0.00000000 0.25227800 0.12584100 1.0 Mn Mn7 1 0.25168700 0.49926600 0.00000000 1.0 Mn Mn8 1 0.25000000 0.00000000 0.25000000 1.0 Mn Mn9 1 0.50000000 0.74772200 0.37415900 1.0 Mn Mn10 1 0.50000000 0.75160300 0.12182000 1.0 Mn Mn11 1 0.75168700 0.50073400 0.50000000 1.0 Mn Mn12 1 0.75000000 0.00000000 0.25000000 1.0 Mn Mn13 1 0.00000000 0.24839700 0.37818000 1.0 Mn Mn14 1 0.00000000 0.24839700 0.62182000 1.0 Mn Mn15 1 0.24831300 0.50073400 0.50000000 1.0 Mn Mn16 1 0.25000000 0.00000000 0.75000000 1.0 Mn Mn17 1 0.50000000 0.75160300 0.87818000 1.0 Mn Mn18 1 0.50000000 0.74772200 0.62584100 1.0 Mn Mn19 1 0.75000000 0.00000000 0.75000000 1.0 Mn Mn20 1 0.74831300 0.49926600 0.00000000 1.0 Mn Mn21 1 0.00000000 0.25227800 0.87415900 1.0 O O22 1 0.76319600 0.26791600 0.00000000 1.0 O O23 1 0.00000000 0.48712500 0.11070000 1.0 O O24 1 0.23680400 0.26791600 0.00000000 1.0 O O25 1 0.27414600 0.76477300 0.23801700 1.0 O O26 1 0.50000000 0.99333600 0.14047900 1.0 O O27 1 0.50000000 0.98146500 0.35422800 1.0 O O28 1 0.50000000 0.51614100 0.11394500 1.0 O O29 1 0.72585400 0.76477300 0.23801700 1.0 O O30 1 0.78676500 0.26185800 0.50000000 1.0 O O31 1 0.77414600 0.23522700 0.26198300 1.0 O O32 1 0.00000000 0.48385900 0.61394500 1.0 O O33 1 0.00000000 0.01853500 0.14577200 1.0 O O34 1 0.00000000 0.48385900 0.38605500 1.0 O O35 1 0.00000000 0.00666400 0.35952100 1.0 O O36 1 0.22585400 0.23522700 0.26198300 1.0 O O37 1 0.21323500 0.26185800 0.50000000 1.0 O O38 1 0.27414600 0.76477300 0.76198300 1.0 O O39 1 0.26319600 0.73208400 0.50000000 1.0 O O40 1 0.50000000 0.51287500 0.38930000 1.0 O O41 1 0.50000000 0.98146500 0.64577200 1.0 O O42 1 0.50000000 0.99333600 0.85952100 1.0 O O43 1 0.50000000 0.51287500 0.61070000 1.0 O O44 1 0.73680400 0.73208400 0.50000000 1.0 O O45 1 0.72585400 0.76477300 0.76198300 1.0 O O46 1 0.77414600 0.23522700 0.73801700 1.0 O O47 1 0.00000000 0.48712500 0.88930000 1.0 O O48 1 0.00000000 0.00666400 0.64047900 1.0 O O49 1 0.00000000 0.01853500 0.85422800 1.0 O O50 1 0.22585400 0.23522700 0.73801700 1.0 O O51 1 0.28676500 0.73814200 0.00000000 1.0 O O52 1 0.50000000 0.51614100 0.88605500 1.0 O O53 1 0.71323500 0.73814200 0.00000000 1.0