# generated using pymatgen data_Li13Mn17O40 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.84892868 _cell_length_b 5.84892868 _cell_length_c 24.03853102 _cell_angle_alpha 83.27561958 _cell_angle_beta 83.27561958 _cell_angle_gamma 59.98286758 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li13Mn17O40 _chemical_formula_sum 'Li13 Mn17 O40' _cell_volume 705.52185799 _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 0.77123600 0.77123600 0.17722300 1.0 Li Li1 1 0.50000000 0.50000000 0.00000000 1.0 Li Li2 1 0.82378600 0.82378600 0.02864600 1.0 Li Li3 1 0.09961200 0.09961200 0.70041500 1.0 Li Li4 1 0.97176300 0.97176300 0.57867300 1.0 Li Li5 1 0.56896900 0.56896900 0.77318100 1.0 Li Li6 1 0.17621400 0.17621400 0.97135400 1.0 Li Li7 1 0.63037300 0.63037300 0.62614300 1.0 Li Li8 1 0.02823700 0.02823700 0.42132700 1.0 Li Li9 1 0.22876400 0.22876400 0.82277700 1.0 Li Li10 1 0.36962700 0.36962700 0.37385700 1.0 Li Li11 1 0.43103100 0.43103100 0.22681900 1.0 Li Li12 1 0.90038800 0.90038800 0.29958500 1.0 Mn Mn13 1 0.30174600 0.30174600 0.09938000 1.0 Mn Mn14 1 0.90178100 0.90178100 0.79834600 1.0 Mn Mn15 1 0.30236500 0.79592900 0.09954900 1.0 Mn Mn16 1 0.69763500 0.20407100 0.90045100 1.0 Mn Mn17 1 0.09821900 0.09821900 0.20165400 1.0 Mn Mn18 1 0.20407100 0.69763500 0.90045100 1.0 Mn Mn19 1 0.69825400 0.69825400 0.90062000 1.0 Mn Mn20 1 0.79592900 0.30236500 0.09954900 1.0 Mn Mn21 1 0.10000100 0.60008300 0.70044700 1.0 Mn Mn22 1 0.39991700 0.89999900 0.29955300 1.0 Mn Mn23 1 0.60008300 0.10000100 0.70044700 1.0 Mn Mn24 1 0.00000000 0.50000000 0.50000000 1.0 Mn Mn25 1 0.50000000 0.50000000 0.50000000 1.0 Mn Mn26 1 0.50000000 0.00000000 0.50000000 1.0 Mn Mn27 1 0.89999900 0.39991700 0.29955300 1.0 Mn Mn28 1 0.29758200 0.29758200 0.60271500 1.0 Mn Mn29 1 0.70241800 0.70241800 0.39728500 1.0 O O30 1 0.41285700 0.97159600 0.14667800 1.0 O O31 1 0.97159600 0.41285700 0.14667800 1.0 O O32 1 0.63428300 0.17350100 0.05816200 1.0 O O33 1 0.45239800 0.45239800 0.14237500 1.0 O O34 1 0.85328700 0.85328700 0.94231300 1.0 O O35 1 0.58714300 0.02840400 0.85332200 1.0 O O36 1 0.17350100 0.63428300 0.05816200 1.0 O O37 1 0.63341600 0.63341600 0.05822200 1.0 O O38 1 0.82649900 0.36571700 0.94183800 1.0 O O39 1 0.36658400 0.36658400 0.94177800 1.0 O O40 1 0.97003200 0.97003200 0.14788700 1.0 O O41 1 0.93632200 0.93632200 0.65890100 1.0 O O42 1 0.75146700 0.20929700 0.75132600 1.0 O O43 1 0.36571700 0.82649900 0.94183800 1.0 O O44 1 0.14671300 0.14671300 0.05768700 1.0 O O45 1 0.54760200 0.54760200 0.85762500 1.0 O O46 1 0.02840500 0.58714300 0.85332200 1.0 O O47 1 0.99118500 0.44808700 0.64879700 1.0 O O48 1 0.02996800 0.02996800 0.85211300 1.0 O O49 1 0.43307300 0.43307300 0.65280100 1.0 O O50 1 0.16900200 0.16900200 0.54817300 1.0 O O51 1 0.20929700 0.75146700 0.75132600 1.0 O O52 1 0.76630900 0.76630900 0.74752700 1.0 O O53 1 0.17134100 0.61599200 0.54614300 1.0 O O54 1 0.82865900 0.38400800 0.45385700 1.0 O O55 1 0.44808700 0.99118500 0.64879700 1.0 O O56 1 0.64595700 0.64595700 0.54349700 1.0 O O57 1 0.06367800 0.06367800 0.34109900 1.0 O O58 1 0.26329800 0.26329800 0.74165600 1.0 O O59 1 0.38400800 0.82865900 0.45385700 1.0 O O60 1 0.83099800 0.83099800 0.45182700 1.0 O O61 1 0.23369100 0.23369100 0.25247300 1.0 O O62 1 0.56692700 0.56692700 0.34719900 1.0 O O63 1 0.00881500 0.55191300 0.35120300 1.0 O O64 1 0.61599200 0.17134100 0.54614300 1.0 O O65 1 0.73670200 0.73670200 0.25834400 1.0 O O66 1 0.35404300 0.35404300 0.45650300 1.0 O O67 1 0.55191300 0.00881500 0.35120300 1.0 O O68 1 0.24853300 0.79070300 0.24867400 1.0 O O69 1 0.79070300 0.24853300 0.24867400 1.0