# generated using pymatgen data_LiMn3O5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.94221000 _cell_length_b 9.98285300 _cell_length_c 13.37413800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiMn3O5 _chemical_formula_sum 'Li4 Mn12 O20' _cell_volume 392.82049939 _cell_formula_units_Z 4 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 0.72594100 0.86416200 1.0 Li Li1 1 0.50000000 0.77405900 0.36416200 1.0 Li Li2 1 0.50000000 0.22594100 0.63583800 1.0 Li Li3 1 0.50000000 0.27405900 0.13583800 1.0 Mn Mn4 1 0.00000000 0.50000000 0.00000000 1.0 Mn Mn5 1 0.50000000 0.50000000 0.50000000 1.0 Mn Mn6 1 0.00000000 0.49373800 0.29117100 1.0 Mn Mn7 1 0.50000000 0.73745900 0.11727700 1.0 Mn Mn8 1 0.50000000 0.76254100 0.61727700 1.0 Mn Mn9 1 0.00000000 0.00626200 0.79117100 1.0 Mn Mn10 1 0.00000000 0.00000000 0.50000000 1.0 Mn Mn11 1 0.50000000 0.00000000 0.00000000 1.0 Mn Mn12 1 0.00000000 0.99373800 0.20882900 1.0 Mn Mn13 1 0.50000000 0.23745900 0.38272300 1.0 Mn Mn14 1 0.50000000 0.26254100 0.88272300 1.0 Mn Mn15 1 0.00000000 0.50626200 0.70882900 1.0 O O16 1 0.00000000 0.62289300 0.16386200 1.0 O O17 1 0.00000000 0.63721900 0.56343900 1.0 O O18 1 0.50000000 0.58684000 0.36235000 1.0 O O19 1 0.50000000 0.62698900 0.74534500 1.0 O O20 1 0.50000000 0.62601500 0.98152300 1.0 O O21 1 0.50000000 0.87398500 0.48152300 1.0 O O22 1 0.50000000 0.87301100 0.24534500 1.0 O O23 1 0.50000000 0.91316000 0.86235000 1.0 O O24 1 0.00000000 0.86278100 0.06343900 1.0 O O25 1 0.00000000 0.87710700 0.66386200 1.0 O O26 1 0.00000000 0.12289300 0.33613800 1.0 O O27 1 0.00000000 0.13721900 0.93656100 1.0 O O28 1 0.50000000 0.08684000 0.13765000 1.0 O O29 1 0.50000000 0.12698900 0.75465500 1.0 O O30 1 0.50000000 0.12601500 0.51847700 1.0 O O31 1 0.50000000 0.37398500 0.01847700 1.0 O O32 1 0.50000000 0.37301100 0.25465500 1.0 O O33 1 0.50000000 0.41316000 0.63765000 1.0 O O34 1 0.00000000 0.36278100 0.43656100 1.0 O O35 1 0.00000000 0.37710700 0.83613800 1.0