# generated using pymatgen data_Li6Mn17O40 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.81958400 _cell_length_b 5.83587789 _cell_length_c 24.05141676 _cell_angle_alpha 83.33215827 _cell_angle_beta 90.00000000 _cell_angle_gamma 60.09231639 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li6Mn17O40 _chemical_formula_sum 'Li6 Mn17 O40' _cell_volume 701.68310322 _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 0.22353300 0.55293300 0.17264100 1.0 Li Li1 1 0.02550700 0.94898700 0.57244300 1.0 Li Li2 1 0.77270100 0.45459700 0.82590000 1.0 Li Li3 1 0.82670400 0.34659100 0.97470000 1.0 Li Li4 1 0.62498100 0.75003800 0.37582700 1.0 Li Li5 1 0.57629500 0.84741100 0.22688500 1.0 Mn Mn6 1 0.09643000 0.29723900 0.29906500 1.0 Mn Mn7 1 0.19589100 0.10162300 0.10094700 1.0 Mn Mn8 1 0.00152900 0.50014800 0.49965100 1.0 Mn Mn9 1 0.30038600 0.39922700 0.40107400 1.0 Mn Mn10 1 0.09655300 0.80689300 0.29916700 1.0 Mn Mn11 1 0.10029000 0.79941900 0.80138500 1.0 Mn Mn12 1 0.49962600 0.00074700 0.00033700 1.0 Mn Mn13 1 0.49832200 0.50014800 0.49965100 1.0 Mn Mn14 1 0.39979900 0.70036800 0.69983800 1.0 Mn Mn15 1 0.30074500 0.89980400 0.90036800 1.0 Mn Mn16 1 0.60633100 0.29723900 0.29906500 1.0 Mn Mn17 1 0.70248700 0.10162300 0.10094700 1.0 Mn Mn18 1 0.69905000 0.60190000 0.59823900 1.0 Mn Mn19 1 0.89983600 0.20032800 0.69987000 1.0 Mn Mn20 1 0.70189700 0.59620500 0.10085600 1.0 Mn Mn21 1 0.79945100 0.89980400 0.90036800 1.0 Mn Mn22 1 0.89983300 0.70036800 0.69983800 1.0 O O23 1 0.01139100 0.41683700 0.65401200 1.0 O O24 1 0.03832600 0.39826100 0.13983400 1.0 O O25 1 0.23744700 0.00084600 0.26049600 1.0 O O26 1 0.18713600 0.14726800 0.95273900 1.0 O O27 1 0.13696100 0.25060500 0.44757800 1.0 O O28 1 0.25318700 0.49362500 0.25773000 1.0 O O29 1 0.13640800 0.72718500 0.94033700 1.0 O O30 1 0.05305600 0.89388700 0.65781900 1.0 O O31 1 0.22763900 0.54472200 0.74684500 1.0 O O32 1 0.46486200 0.07027500 0.85979900 1.0 O O33 1 0.33701500 0.32597000 0.54001000 1.0 O O34 1 0.42993600 0.14012900 0.34809800 1.0 O O35 1 0.37245000 0.25510000 0.05262500 1.0 O O36 1 0.16860600 0.66278800 0.45325600 1.0 O O37 1 0.03701400 0.92597200 0.14004800 1.0 O O38 1 0.42896700 0.58354600 0.34737300 1.0 O O39 1 0.22783700 0.98355300 0.74593200 1.0 O O40 1 0.41091800 0.65305400 0.84720700 1.0 O O41 1 0.66559400 0.14726800 0.95273900 1.0 O O42 1 0.61243400 0.25060500 0.44757800 1.0 O O43 1 0.56341300 0.39826100 0.13983400 1.0 O O44 1 0.76170700 0.00084600 0.26049600 1.0 O O45 1 0.38880300 0.74744100 0.55278700 1.0 O O46 1 0.57177300 0.41683700 0.65401200 1.0 O O47 1 0.37330500 0.81788000 0.05345700 1.0 O O48 1 0.63468700 0.73062700 0.94678300 1.0 O O49 1 0.83326100 0.33348000 0.54733600 1.0 O O50 1 0.76267600 0.47464700 0.26014900 1.0 O O51 1 0.85291000 0.29417900 0.05782900 1.0 O O52 1 0.57195300 0.85609500 0.65308800 1.0 O O53 1 0.74650300 0.50699500 0.74187900 1.0 O O54 1 0.66841700 0.66316700 0.45737200 1.0 O O55 1 0.54686900 0.90626300 0.14281400 1.0 O O56 1 0.96565200 0.06869700 0.85300900 1.0 O O57 1 0.94642300 0.10715400 0.34149900 1.0 O O58 1 0.80881400 0.81788000 0.05345700 1.0 O O59 1 0.86375600 0.74744100 0.55278700 1.0 O O60 1 0.93602700 0.65305400 0.84720700 1.0 O O61 1 0.78861000 0.98355300 0.74593200 1.0 O O62 1 0.98748700 0.58354600 0.34737300 1.0