# generated using pymatgen data_Li5Mn2Fe(BO3)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.15901400 _cell_length_b 5.29730200 _cell_length_c 10.96699568 _cell_angle_alpha 62.89008166 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li5Mn2Fe(BO3)4 _chemical_formula_sum 'Li10 Mn4 Fe2 B8 O24' _cell_volume 473.63794198 _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 0.23531900 0.48921700 0.34863700 1.0 Li Li1 1 0.91870800 0.45821600 0.37064100 1.0 Li Li2 1 0.24533500 0.93697300 0.87920300 1.0 Li Li3 1 0.41862800 0.54567000 0.12706700 1.0 Li Li4 1 0.73372400 0.50023800 0.16121500 1.0 Li Li5 1 0.75466500 0.93697300 0.37920300 1.0 Li Li6 1 0.76468100 0.48921700 0.84863700 1.0 Li Li7 1 0.08129200 0.45821600 0.87064100 1.0 Li Li8 1 0.58137200 0.54567000 0.62706700 1.0 Li Li9 1 0.26627600 0.50023800 0.66121500 1.0 Mn Mn10 1 0.57100000 0.97207900 0.88047600 1.0 Mn Mn11 1 0.08063900 0.02522300 0.62322500 1.0 Mn Mn12 1 0.42900000 0.97207900 0.38047600 1.0 Mn Mn13 1 0.91936100 0.02522300 0.12322500 1.0 Fe Fe14 1 0.74499900 0.06843600 0.60995000 1.0 Fe Fe15 1 0.25500100 0.06843600 0.10995000 1.0 B B16 1 0.57476100 0.45298700 0.38196800 1.0 B B17 1 0.91482000 0.96915400 0.86485200 1.0 B B18 1 0.07467300 0.54562400 0.12106500 1.0 B B19 1 0.41034800 0.03565200 0.63157900 1.0 B B20 1 0.08518000 0.96915400 0.36485200 1.0 B B21 1 0.42523900 0.45298700 0.88196800 1.0 B B22 1 0.58965200 0.03565200 0.13157900 1.0 B B23 1 0.92532700 0.54562400 0.62106500 1.0 O O24 1 0.58548600 0.82117400 0.09103300 1.0 O O25 1 0.91672400 0.32432600 0.58514800 1.0 O O26 1 0.20316000 0.67947800 0.12434600 1.0 O O27 1 0.93922500 0.61490100 0.15335300 1.0 O O28 1 0.54131300 0.12833800 0.66639500 1.0 O O29 1 0.28297900 0.15883000 0.64301200 1.0 O O30 1 0.43908200 0.38781100 0.34629500 1.0 O O31 1 0.69871300 0.29091800 0.38931600 1.0 O O32 1 0.78344500 0.86476100 0.84322200 1.0 O O33 1 0.04595400 0.88060800 0.83101000 1.0 O O34 1 0.08425600 0.17030800 0.41481900 1.0 O O35 1 0.41119200 0.67907800 0.91217200 1.0 O O36 1 0.08327600 0.32432600 0.08514800 1.0 O O37 1 0.41451400 0.82117400 0.59103300 1.0 O O38 1 0.45868700 0.12833800 0.16639500 1.0 O O39 1 0.71702100 0.15883000 0.14301200 1.0 O O40 1 0.79684000 0.67947800 0.62434600 1.0 O O41 1 0.06077500 0.61490100 0.65335300 1.0 O O42 1 0.21655500 0.86476100 0.34322200 1.0 O O43 1 0.95404600 0.88060800 0.33101000 1.0 O O44 1 0.56091800 0.38781100 0.84629500 1.0 O O45 1 0.30128700 0.29091800 0.88931600 1.0 O O46 1 0.58880800 0.67907800 0.41217200 1.0 O O47 1 0.91574400 0.17030800 0.91481900 1.0