# generated using pymatgen data_Li13Mn21O48 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.86965220 _cell_length_b 5.86965220 _cell_length_c 28.71341589 _cell_angle_alpha 89.93861494 _cell_angle_beta 89.93861494 _cell_angle_gamma 59.64227082 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li13Mn21O48 _chemical_formula_sum 'Li13 Mn21 O48' _cell_volume 853.61704048 _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 0.83292900 0.83292900 0.35797000 1.0 Li Li1 1 0.16925400 0.16925400 0.14478900 1.0 Li Li2 1 0.16638800 0.16638800 0.33338100 1.0 Li Li3 1 0.15857300 0.15857300 0.52281600 1.0 Li Li4 1 0.49960200 0.49960200 0.30756000 1.0 Li Li5 1 0.49771500 0.49771500 0.68475800 1.0 Li Li6 1 0.66663300 0.66663300 0.58329500 1.0 Li Li7 1 0.83559200 0.83559200 0.48182700 1.0 Li Li8 1 0.83378400 0.83378400 0.85695100 1.0 Li Li9 1 0.17467000 0.17467000 0.64375500 1.0 Li Li10 1 0.16693400 0.16693400 0.83284300 1.0 Li Li11 1 0.50037000 0.50037000 0.80881100 1.0 Li Li12 1 0.83498800 0.83498800 0.97947700 1.0 Mn Mn13 1 0.49962400 0.49962400 0.00069200 1.0 Mn Mn14 1 0.66497000 0.16849000 0.08326500 1.0 Mn Mn15 1 0.66568500 0.66568500 0.08361800 1.0 Mn Mn16 1 0.83419800 0.83419800 0.16784600 1.0 Mn Mn17 1 0.00191700 0.49602900 0.25014900 1.0 Mn Mn18 1 0.16849000 0.66497000 0.08326500 1.0 Mn Mn19 1 0.00192900 0.00192900 0.25017400 1.0 Mn Mn20 1 0.33048300 0.83643600 0.41669800 1.0 Mn Mn21 1 0.49602900 0.00191700 0.25014900 1.0 Mn Mn22 1 0.33088400 0.33088400 0.41654300 1.0 Mn Mn23 1 0.49999900 0.49999900 0.50185900 1.0 Mn Mn24 1 0.66670500 0.16664700 0.58330300 1.0 Mn Mn25 1 0.83643600 0.33048300 0.41669800 1.0 Mn Mn26 1 0.83327900 0.83327900 0.66472100 1.0 Mn Mn27 1 0.00289200 0.49676700 0.74990500 1.0 Mn Mn28 1 0.16664700 0.66670500 0.58330300 1.0 Mn Mn29 1 0.00243500 0.00243500 0.75005600 1.0 Mn Mn30 1 0.33066300 0.83942900 0.91667000 1.0 Mn Mn31 1 0.33064600 0.33064600 0.91658100 1.0 Mn Mn32 1 0.49676700 0.00289200 0.74990500 1.0 Mn Mn33 1 0.83942900 0.33066300 0.91667000 1.0 O O34 1 0.35266200 0.35266200 0.04387600 1.0 O O35 1 0.48262700 0.48262700 0.11919700 1.0 O O36 1 0.34967700 0.79082300 0.04421300 1.0 O O37 1 0.79082300 0.34967700 0.04421300 1.0 O O38 1 0.53765200 0.98437500 0.12270500 1.0 O O39 1 0.68892300 0.68892300 0.20992700 1.0 O O40 1 0.84722700 0.84722700 0.04699400 1.0 O O41 1 0.98437500 0.53765200 0.12270500 1.0 O O42 1 0.83335300 0.83335300 0.28517300 1.0 O O43 1 0.68779700 0.12414400 0.21036700 1.0 O O44 1 0.12414400 0.68779700 0.21036700 1.0 O O45 1 0.98262300 0.98262300 0.12274700 1.0 O O46 1 0.86003100 0.32054400 0.28447400 1.0 O O47 1 0.01320200 0.01320200 0.38208600 1.0 O O48 1 0.16651300 0.16651300 0.21421600 1.0 O O49 1 0.32054400 0.86003100 0.28447400 1.0 O O50 1 0.16626700 0.16626700 0.45237700 1.0 O O51 1 0.01082600 0.47327200 0.38228700 1.0 O O52 1 0.47327200 0.01082600 0.38228700 1.0 O O53 1 0.31938600 0.31938600 0.28465300 1.0 O O54 1 0.20311100 0.64641700 0.45572400 1.0 O O55 1 0.34794800 0.34794800 0.54384800 1.0 O O56 1 0.49961300 0.49961300 0.38171900 1.0 O O57 1 0.64641700 0.20311100 0.45572400 1.0 O O58 1 0.49040300 0.49040300 0.61771000 1.0 O O59 1 0.33370400 0.79257500 0.54064300 1.0 O O60 1 0.79257500 0.33370400 0.54064300 1.0 O O61 1 0.64625100 0.64625100 0.45705900 1.0 O O62 1 0.68702400 0.68702400 0.70958400 1.0 O O63 1 0.54070100 0.99961000 0.62598600 1.0 O O64 1 0.84287900 0.84287900 0.54890300 1.0 O O65 1 0.99961000 0.54070100 0.62598600 1.0 O O66 1 0.83373700 0.83373700 0.78493400 1.0 O O67 1 0.68684900 0.13024900 0.71091900 1.0 O O68 1 0.13024900 0.68684900 0.71091900 1.0 O O69 1 0.98529900 0.98529900 0.62276200 1.0 O O70 1 0.86012200 0.32240400 0.78446300 1.0 O O71 1 0.01329900 0.01329900 0.88214000 1.0 O O72 1 0.16698100 0.16698100 0.71420800 1.0 O O73 1 0.32240400 0.86012200 0.78446300 1.0 O O74 1 0.16714000 0.16714000 0.95178600 1.0 O O75 1 0.01209000 0.47506600 0.88230900 1.0 O O76 1 0.32006500 0.32006500 0.78466300 1.0 O O77 1 0.47506600 0.01209000 0.88230900 1.0 O O78 1 0.20543800 0.64763600 0.95669800 1.0 O O79 1 0.50014800 0.50014800 0.88191700 1.0 O O80 1 0.64763600 0.20543800 0.95669800 1.0 O O81 1 0.64710900 0.64710900 0.95730600 1.0