# generated using pymatgen data_Li3Mn5(FeO6)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.10599100 _cell_length_b 5.20878157 _cell_length_c 29.43787777 _cell_angle_alpha 88.07740638 _cell_angle_beta 87.35517212 _cell_angle_gamma 61.05795503 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li3Mn5(FeO6)2 _chemical_formula_sum 'Li9 Mn15 Fe6 O36' _cell_volume 684.36300330 _cell_formula_units_Z 3 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 0.67753100 0.14659200 0.00051800 1.0 Li Li1 1 0.66446500 0.84842300 0.33913600 1.0 Li Li2 1 0.00641700 0.83755100 0.67267300 1.0 Li Li3 1 0.97873100 0.85772700 0.16197400 1.0 Li Li4 1 0.32794200 0.83633700 0.49568100 1.0 Li Li5 1 0.65665100 0.85236500 0.83040800 1.0 Li Li6 1 0.00869600 0.15406600 0.08073300 1.0 Li Li7 1 0.33443300 0.15603300 0.41664600 1.0 Li Li8 1 0.66523900 0.15324500 0.74986500 1.0 Mn Mn9 1 0.32864500 0.85529500 0.24952200 1.0 Mn Mn10 1 0.66385600 0.84630200 0.58231700 1.0 Mn Mn11 1 0.00177600 0.84927400 0.91605800 1.0 Mn Mn12 1 0.67133100 0.16563600 0.24937700 1.0 Mn Mn13 1 0.00361700 0.16817500 0.58267100 1.0 Mn Mn14 1 0.66248900 0.84478100 0.08351300 1.0 Mn Mn15 1 0.33386900 0.15352400 0.91773100 1.0 Mn Mn16 1 0.99558600 0.84302100 0.41679400 1.0 Mn Mn17 1 0.66739900 0.48642400 0.16331800 1.0 Mn Mn18 1 0.33047800 0.83814200 0.75069100 1.0 Mn Mn19 1 0.99340400 0.49111100 0.49593100 1.0 Mn Mn20 1 0.01007300 0.49186500 0.00190800 1.0 Mn Mn21 1 0.33215300 0.49485300 0.83163600 1.0 Mn Mn22 1 0.34632900 0.47780900 0.33672500 1.0 Mn Mn23 1 0.67709300 0.47898000 0.67011500 1.0 Fe Fe24 1 0.34165400 0.49344600 0.08342900 1.0 Fe Fe25 1 0.67726000 0.47861200 0.41687100 1.0 Fe Fe26 1 0.01124200 0.47131600 0.75098900 1.0 Fe Fe27 1 0.99992900 0.49898000 0.24978000 1.0 Fe Fe28 1 0.33198100 0.50555000 0.58252300 1.0 Fe Fe29 1 0.66955800 0.50120100 0.91652200 1.0 O O30 1 0.36440400 0.50896400 0.21216200 1.0 O O31 1 0.66147200 0.54749800 0.54163600 1.0 O O32 1 0.36191500 0.15585000 0.28821500 1.0 O O33 1 0.65258500 0.47913600 0.28656100 1.0 O O34 1 0.34748800 0.19078900 0.04761200 1.0 O O35 1 0.00394100 0.55043400 0.87691800 1.0 O O36 1 0.67179300 0.16949100 0.61841200 1.0 O O37 1 0.00013500 0.48058700 0.61967800 1.0 O O38 1 0.67568400 0.16299900 0.38251700 1.0 O O39 1 0.65071900 0.17068500 0.11828700 1.0 O O40 1 0.36477000 0.77947300 0.12215000 1.0 O O41 1 0.00264300 0.15745600 0.95413700 1.0 O O42 1 0.33719200 0.44539700 0.95769500 1.0 O O43 1 0.00944500 0.15110700 0.71490400 1.0 O O44 1 0.99080000 0.16178300 0.45140400 1.0 O O45 1 0.69980600 0.77541400 0.45470800 1.0 O O46 1 0.95865700 0.18479900 0.20702700 1.0 O O47 1 0.65540700 0.85960800 0.21401400 1.0 O O48 1 0.33113000 0.15025900 0.78605700 1.0 O O49 1 0.04121300 0.77676800 0.79014300 1.0 O O50 1 0.29021700 0.21089900 0.54133500 1.0 O O51 1 0.00704900 0.84252600 0.54762200 1.0 O O52 1 0.68469900 0.52542400 0.04633300 1.0 O O53 1 0.99356100 0.85455100 0.28436800 1.0 O O54 1 0.99938500 0.81097200 0.04848600 1.0 O O55 1 0.61401800 0.19511900 0.87511800 1.0 O O56 1 0.33196700 0.84921400 0.88102500 1.0 O O57 1 0.98405400 0.54672500 0.37874500 1.0 O O58 1 0.35723000 0.80128900 0.61963600 1.0 O O59 1 0.95293600 0.55226900 0.12375800 1.0 O O60 1 0.35264300 0.78537100 0.38064700 1.0 O O61 1 0.32179600 0.53904700 0.71283000 1.0 O O62 1 0.72178500 0.80849800 0.95786300 1.0 O O63 1 0.28666500 0.54194000 0.45622400 1.0 O O64 1 0.68146100 0.78742500 0.71377600 1.0 O O65 1 0.62647700 0.53381900 0.79044300 1.0