# generated using pymatgen data_Li2Mn3(BO3)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.30294000 _cell_length_b 8.80610242 _cell_length_c 9.51408798 _cell_angle_alpha 110.28972418 _cell_angle_beta 90.40216609 _cell_angle_gamma 117.83748530 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li2Mn3(BO3)3 _chemical_formula_sum 'Li6 Mn9 B9 O27' _cell_volume 564.86997056 _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 0.01169400 0.71760600 0.74026300 1.0 Li Li1 1 0.02400200 0.72114000 0.41140600 1.0 Li Li2 1 0.27986400 0.30684000 0.26370400 1.0 Li Li3 1 0.28244600 0.29341100 0.60190300 1.0 Li Li4 1 0.70744700 0.98059800 0.82634000 1.0 Li Li5 1 0.69896000 0.98304400 0.15437500 1.0 Mn Mn6 1 0.63496500 0.63447200 0.54312300 1.0 Mn Mn7 1 0.62073200 0.60491900 0.87451900 1.0 Mn Mn8 1 0.66063500 0.65227800 0.21819500 1.0 Mn Mn9 1 0.35331400 0.01460700 0.00209900 1.0 Mn Mn10 1 0.36778000 0.00823900 0.33184300 1.0 Mn Mn11 1 0.39238100 0.00977900 0.66706800 1.0 Mn Mn12 1 0.97658000 0.34225600 0.44734900 1.0 Mn Mn13 1 0.99342700 0.36668500 0.11881300 1.0 Mn Mn14 1 0.99891900 0.35714400 0.78605500 1.0 B B15 1 0.01146300 0.99655400 0.66940200 1.0 B B16 1 0.32477000 0.66517600 0.39198300 1.0 B B17 1 0.33227900 0.66559000 0.72026400 1.0 B B18 1 0.01317400 0.01343200 0.33845700 1.0 B B19 1 0.34112000 0.67191400 0.05042600 1.0 B B20 1 0.98074300 0.98809500 0.99878400 1.0 B B21 1 0.66782700 0.33641300 0.62415000 1.0 B B22 1 0.66376900 0.33746500 0.27684700 1.0 B B23 1 0.66203600 0.32130800 0.93043300 1.0 O O24 1 0.07548800 0.89344400 0.94822800 1.0 O O25 1 0.09071800 0.90099100 0.31804700 1.0 O O26 1 0.10392400 0.89323900 0.63231000 1.0 O O27 1 0.13407500 0.55032000 0.35092700 1.0 O O28 1 0.14255900 0.56166600 0.68402800 1.0 O O29 1 0.15635900 0.54176900 0.00946500 1.0 O O30 1 0.39569800 0.85844900 0.46191300 1.0 O O31 1 0.40823900 0.86272500 0.11444400 1.0 O O32 1 0.42481900 0.86022600 0.77218800 1.0 O O33 1 0.07847900 0.17892000 0.08436500 1.0 O O34 1 0.10720900 0.18734500 0.71451300 1.0 O O35 1 0.12901000 0.20814600 0.40385300 1.0 O O36 1 0.44265700 0.59277600 0.36209700 1.0 O O37 1 0.44088000 0.57970200 0.70640300 1.0 O O38 1 0.47406900 0.61411900 0.03223100 1.0 O O39 1 0.78582600 0.89444300 0.96440600 1.0 O O40 1 0.82160800 0.90485500 0.65955600 1.0 O O41 1 0.82358800 0.93580800 0.29624200 1.0 O O42 1 0.47015000 0.22661000 0.23841800 1.0 O O43 1 0.47441600 0.21432500 0.58411800 1.0 O O44 1 0.46986900 0.19720100 0.87731300 1.0 O O45 1 0.72415100 0.51148200 0.99455400 1.0 O O46 1 0.73326200 0.53016500 0.69575400 1.0 O O47 1 0.74677000 0.53217600 0.34822600 1.0 O O48 1 0.77342000 0.25476400 0.24580600 1.0 O O49 1 0.78862300 0.27159400 0.59577200 1.0 O O50 1 0.78374300 0.25377400 0.91702100 1.0