# generated using pymatgen data_Li10Mn21O48 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.86786418 _cell_length_b 5.86786418 _cell_length_c 28.70308492 _cell_angle_alpha 89.35187357 _cell_angle_beta 89.35187357 _cell_angle_gamma 59.85205899 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li10Mn21O48 _chemical_formula_sum 'Li10 Mn21 O48' _cell_volume 854.54111148 _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 0.49364000 0.49364000 0.43979500 1.0 Li Li1 1 0.83195000 0.83195000 0.60149400 1.0 Li Li2 1 0.16088100 0.16088100 0.77165000 1.0 Li Li3 1 0.50636000 0.50636000 0.56020500 1.0 Li Li4 1 0.49967100 0.49967100 0.93381500 1.0 Li Li5 1 0.82812200 0.82812200 0.10624500 1.0 Li Li6 1 0.17187800 0.17187800 0.89375500 1.0 Li Li7 1 0.50032900 0.50032900 0.06618500 1.0 Li Li8 1 0.83911900 0.83911900 0.22835000 1.0 Li Li9 1 0.16805000 0.16805000 0.39850600 1.0 Mn Mn10 1 0.50000000 0.00000000 0.50000000 1.0 Mn Mn11 1 0.33439600 0.33439600 0.66675000 1.0 Mn Mn12 1 0.00000000 0.50000000 0.50000000 1.0 Mn Mn13 1 0.16616000 0.16616000 0.58081200 1.0 Mn Mn14 1 0.83185300 0.33424100 0.66676800 1.0 Mn Mn15 1 0.33424100 0.83185300 0.66676800 1.0 Mn Mn16 1 0.50005100 0.50005100 0.75198700 1.0 Mn Mn17 1 0.16853200 0.66620600 0.83329400 1.0 Mn Mn18 1 0.00000000 0.00000000 0.00000000 1.0 Mn Mn19 1 0.66620600 0.16853200 0.83329400 1.0 Mn Mn20 1 0.83265000 0.83265000 0.91383400 1.0 Mn Mn21 1 0.50000000 0.00000000 0.00000000 1.0 Mn Mn22 1 0.16735000 0.16735000 0.08616600 1.0 Mn Mn23 1 0.00000000 0.50000000 0.00000000 1.0 Mn Mn24 1 0.83146800 0.33379400 0.16670600 1.0 Mn Mn25 1 0.66560400 0.66560400 0.33325000 1.0 Mn Mn26 1 0.49994900 0.49994900 0.24801300 1.0 Mn Mn27 1 0.33379400 0.83146800 0.16670600 1.0 Mn Mn28 1 0.16814700 0.66575900 0.33323200 1.0 Mn Mn29 1 0.83384000 0.83384000 0.41918800 1.0 Mn Mn30 1 0.66575900 0.16814700 0.33323200 1.0 O O31 1 0.12609600 0.65691700 0.45517500 1.0 O O32 1 0.81839100 0.81839100 0.53411800 1.0 O O33 1 0.65691700 0.12609600 0.45517500 1.0 O O34 1 0.68079600 0.68079600 0.46075900 1.0 O O35 1 0.31920400 0.31920400 0.53924100 1.0 O O36 1 0.46548500 0.01944000 0.62837800 1.0 O O37 1 0.34308300 0.87390400 0.54482500 1.0 O O38 1 0.16544600 0.16544600 0.70106400 1.0 O O39 1 0.01944000 0.46548500 0.62837800 1.0 O O40 1 0.18160900 0.18160900 0.46588200 1.0 O O41 1 0.01953700 0.01953700 0.62730400 1.0 O O42 1 0.87390400 0.34308300 0.54482500 1.0 O O43 1 0.64505500 0.64505500 0.70477300 1.0 O O44 1 0.79315300 0.32030500 0.78827100 1.0 O O45 1 0.64665800 0.20517700 0.70381700 1.0 O O46 1 0.48591200 0.48591200 0.86716000 1.0 O O47 1 0.50168100 0.50168100 0.63145200 1.0 O O48 1 0.32030500 0.79315300 0.78827100 1.0 O O49 1 0.34764000 0.34764000 0.79420700 1.0 O O50 1 0.20517700 0.64665800 0.70381700 1.0 O O51 1 0.98579300 0.98579300 0.87282500 1.0 O O52 1 0.13305400 0.68615800 0.96196300 1.0 O O53 1 0.00864700 0.54096100 0.87809100 1.0 O O54 1 0.84625400 0.84625400 0.80056000 1.0 O O55 1 0.83607000 0.83607000 0.03566100 1.0 O O56 1 0.68615800 0.13305400 0.96196300 1.0 O O57 1 0.68588900 0.68588900 0.96079300 1.0 O O58 1 0.54096100 0.00864700 0.87809100 1.0 O O59 1 0.31411100 0.31411100 0.03920700 1.0 O O60 1 0.45903900 0.99135300 0.12190900 1.0 O O61 1 0.31384200 0.86694600 0.03803700 1.0 O O62 1 0.15374600 0.15374600 0.19944000 1.0 O O63 1 0.99135300 0.45903900 0.12190900 1.0 O O64 1 0.16393000 0.16393000 0.96433900 1.0 O O65 1 0.01420700 0.01420700 0.12717500 1.0 O O66 1 0.86694600 0.31384200 0.03803700 1.0 O O67 1 0.65236000 0.65236000 0.20579300 1.0 O O68 1 0.79482300 0.35334200 0.29618300 1.0 O O69 1 0.67969500 0.20684700 0.21172900 1.0 O O70 1 0.49831900 0.49831900 0.36854800 1.0 O O71 1 0.51408800 0.51408800 0.13284000 1.0 O O72 1 0.35334200 0.79482300 0.29618300 1.0 O O73 1 0.35494500 0.35494500 0.29522700 1.0 O O74 1 0.20684700 0.67969500 0.21172900 1.0 O O75 1 0.98046300 0.98046300 0.37269600 1.0 O O76 1 0.98056000 0.53451500 0.37162200 1.0 O O77 1 0.83455400 0.83455400 0.29893600 1.0 O O78 1 0.53451500 0.98056000 0.37162200 1.0