# generated using pymatgen data_LiMn8O16 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.91740500 _cell_length_b 8.29519500 _cell_length_c 11.70526700 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiMn8O16 _chemical_formula_sum 'Li2 Mn16 O32' _cell_volume 574.56506803 _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 0.00000000 0.62438500 0.50000000 1.0 Li Li1 1 0.50000000 0.37561500 0.00000000 1.0 Mn Mn2 1 0.25000000 0.50000000 0.25000000 1.0 Mn Mn3 1 0.50000000 0.75007900 0.37290200 1.0 Mn Mn4 1 0.74980300 0.00013200 0.50000000 1.0 Mn Mn5 1 0.00000000 0.24757100 0.37554300 1.0 Mn Mn6 1 0.00000000 0.24757100 0.62445700 1.0 Mn Mn7 1 0.25019700 0.00013200 0.50000000 1.0 Mn Mn8 1 0.25000000 0.50000000 0.75000000 1.0 Mn Mn9 1 0.50000000 0.75007900 0.62709800 1.0 Mn Mn10 1 0.50000000 0.75242900 0.87554300 1.0 Mn Mn11 1 0.75000000 0.50000000 0.75000000 1.0 Mn Mn12 1 0.75019700 0.99986800 0.00000000 1.0 Mn Mn13 1 0.00000000 0.24992100 0.87290200 1.0 Mn Mn14 1 0.00000000 0.24992100 0.12709800 1.0 Mn Mn15 1 0.24980300 0.99986800 0.00000000 1.0 Mn Mn16 1 0.50000000 0.75242900 0.12445700 1.0 Mn Mn17 1 0.75000000 0.50000000 0.25000000 1.0 O O18 1 0.00000000 0.48102200 0.36734200 1.0 O O19 1 0.28462100 0.73834400 0.24982100 1.0 O O20 1 0.27878800 0.76235700 0.50000000 1.0 O O21 1 0.50000000 0.51700400 0.35820100 1.0 O O22 1 0.50000000 0.98378100 0.60890400 1.0 O O23 1 0.50000000 0.98378100 0.39109600 1.0 O O24 1 0.72121200 0.76235700 0.50000000 1.0 O O25 1 0.71537900 0.73834400 0.24982100 1.0 O O26 1 0.78183200 0.23294400 0.50000000 1.0 O O27 1 0.78462100 0.26165600 0.74982100 1.0 O O28 1 0.00000000 0.01353800 0.39078900 1.0 O O29 1 0.00000000 0.01353800 0.60921100 1.0 O O30 1 0.00000000 0.48299600 0.85820100 1.0 O O31 1 0.00000000 0.48102200 0.63265800 1.0 O O32 1 0.21537900 0.26165600 0.74982100 1.0 O O33 1 0.21816800 0.23294400 0.50000000 1.0 O O34 1 0.28462100 0.73834400 0.75017900 1.0 O O35 1 0.28183200 0.76705600 0.00000000 1.0 O O36 1 0.50000000 0.51700400 0.64179900 1.0 O O37 1 0.50000000 0.51897800 0.86734200 1.0 O O38 1 0.50000000 0.98646200 0.10921100 1.0 O O39 1 0.50000000 0.98646200 0.89078900 1.0 O O40 1 0.71816800 0.76705600 0.00000000 1.0 O O41 1 0.71537900 0.73834400 0.75017900 1.0 O O42 1 0.77878800 0.23764300 0.00000000 1.0 O O43 1 0.78462100 0.26165600 0.25017900 1.0 O O44 1 0.00000000 0.01621900 0.89109600 1.0 O O45 1 0.00000000 0.01621900 0.10890400 1.0 O O46 1 0.00000000 0.48299600 0.14179900 1.0 O O47 1 0.21537900 0.26165600 0.25017900 1.0 O O48 1 0.22121200 0.23764300 0.00000000 1.0 O O49 1 0.50000000 0.51897800 0.13265800 1.0