# generated using pymatgen data_Li8Mn6(FeO6)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.96609038 _cell_length_b 8.96609071 _cell_length_c 10.16524064 _cell_angle_alpha 88.70768254 _cell_angle_beta 91.29231217 _cell_angle_gamma 59.49653372 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li8Mn6(FeO6)3 _chemical_formula_sum 'Li16 Mn12 Fe6 O36' _cell_volume 703.36334945 _cell_formula_units_Z 2 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 0.84164700 0.74082500 0.24542000 1.0 Li Li1 1 0.80556200 0.08734400 0.23080600 1.0 Li Li2 1 0.77526700 0.43291100 0.21999600 1.0 Li Li3 1 0.75202500 0.03891000 0.72101000 1.0 Li Li4 1 0.73375600 0.39140000 0.71999600 1.0 Li Li5 1 0.55251900 0.90627500 0.77338400 1.0 Li Li6 1 0.46172400 0.76896500 0.22830000 1.0 Li Li7 1 0.42584200 0.32502000 0.74542000 1.0 Li Li8 1 0.46205600 0.10355600 0.22905900 1.0 Li Li9 1 0.39770100 0.70494300 0.72830000 1.0 Li Li10 1 0.26039200 0.61414800 0.27338400 1.0 Li Li11 1 0.15276200 0.07030900 0.23649100 1.0 Li Li12 1 0.12775600 0.41464100 0.22101000 1.0 Li Li13 1 0.09635700 0.01390500 0.73649100 1.0 Li Li14 1 0.07932300 0.36110500 0.73080600 1.0 Li Li15 1 0.06311000 0.70461000 0.72905900 1.0 Mn Mn16 1 0.99903400 0.33301600 0.00127300 1.0 Mn Mn17 1 0.83336400 0.50648800 0.50011000 1.0 Mn Mn18 1 0.83365100 0.16763200 0.50127300 1.0 Mn Mn19 1 0.66017900 0.33330200 0.00011000 1.0 Mn Mn20 1 0.67074000 0.00044500 0.00163400 1.0 Mn Mn21 1 0.49845700 0.16395500 0.49796800 1.0 Mn Mn22 1 0.50036200 0.83430600 0.49643700 1.0 Mn Mn23 1 0.33843400 0.00553900 0.99514700 1.0 Mn Mn24 1 0.33236000 0.66630500 0.99643700 1.0 Mn Mn25 1 0.16112800 0.82823300 0.49514700 1.0 Mn Mn26 1 0.16622100 0.49592600 0.50163400 1.0 Mn Mn27 1 0.00271100 0.66821000 0.99796800 1.0 Fe Fe28 1 0.83401800 0.83474400 0.50406500 1.0 Fe Fe29 1 0.67179900 0.66240700 0.98917600 1.0 Fe Fe30 1 0.50426000 0.49486800 0.48917600 1.0 Fe Fe31 1 0.33192200 0.33264900 0.00406500 1.0 Fe Fe32 1 0.16846400 0.16065300 0.49903400 1.0 Fe Fe33 1 0.00601400 0.99820300 0.99903400 1.0 O O34 1 0.96289500 0.58917700 0.60658200 1.0 O O35 1 0.93746600 0.28716400 0.60894600 1.0 O O36 1 0.97040600 0.92325400 0.61692400 1.0 O O37 1 0.88546200 0.53856200 0.11391600 1.0 O O38 1 0.87950300 0.22920000 0.10894600 1.0 O O39 1 0.88083500 0.88229200 0.10810300 1.0 O O40 1 0.75354900 0.44407600 0.89521900 1.0 O O41 1 0.76223300 0.11943300 0.90079500 1.0 O O42 1 0.77598700 0.79339500 0.89622600 1.0 O O43 1 0.72259000 0.41311800 0.39521900 1.0 O O44 1 0.71477200 0.07192900 0.40017800 1.0 O O45 1 0.71946000 0.72237700 0.39848700 1.0 O O46 1 0.62810500 0.28120400 0.61391600 1.0 O O47 1 0.61574800 0.61084600 0.60050100 1.0 O O48 1 0.61389200 0.96066500 0.61100500 1.0 O O49 1 0.57748900 0.20377100 0.10658200 1.0 O O50 1 0.55582100 0.55091900 0.10050100 1.0 O O51 1 0.56151800 0.89019200 0.10215600 1.0 O O52 1 0.45338600 0.10838800 0.89708400 1.0 O O53 1 0.44429000 0.44720700 0.89848700 1.0 O O54 1 0.44817000 0.80303500 0.88519700 1.0 O O55 1 0.38802900 0.03631200 0.38364900 1.0 O O56 1 0.37327100 0.39068000 0.39622600 1.0 O O57 1 0.36363200 0.71849700 0.38519700 1.0 O O58 1 0.28437500 0.28583200 0.60810300 1.0 O O59 1 0.28025000 0.91801000 0.59975200 1.0 O O60 1 0.27647500 0.60514900 0.60215600 1.0 O O61 1 0.24341200 0.19626000 0.11692400 1.0 O O62 1 0.24865600 0.88641600 0.09975200 1.0 O O63 1 0.20600100 0.55277500 0.11100500 1.0 O O64 1 0.12173900 0.12558300 0.89570000 1.0 O O65 1 0.13035400 0.77863800 0.88364900 1.0 O O66 1 0.09473700 0.45189400 0.90017800 1.0 O O67 1 0.04108400 0.04492800 0.39570000 1.0 O O68 1 0.05827800 0.71328100 0.39708400 1.0 O O69 1 0.04723300 0.40443400 0.40079500 1.0