# generated using pymatgen data_Li2Mn3(BO3)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.24319600 _cell_length_b 8.27412201 _cell_length_c 15.85011846 _cell_angle_alpha 90.38782316 _cell_angle_beta 90.67989308 _cell_angle_gamma 119.79948777 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li2Mn3(BO3)3 _chemical_formula_sum 'Li10 Mn15 B15 O45' _cell_volume 937.94590190 _cell_formula_units_Z 5 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 0.70396200 0.72045100 0.50334400 1.0 Li Li1 1 0.69796400 0.71355300 0.90227500 1.0 Li Li2 1 0.70235400 0.72924800 0.09857700 1.0 Li Li3 1 0.01958200 0.30664800 0.29782500 1.0 Li Li4 1 0.03049200 0.29664000 0.70029800 1.0 Li Li5 1 0.00850700 0.29377100 0.10143000 1.0 Li Li6 1 0.28703600 0.98165900 0.50176500 1.0 Li Li7 1 0.28942600 0.98272700 0.69728200 1.0 Li Li8 1 0.26698900 0.96923700 0.89976700 1.0 Li Li9 1 0.28557200 0.98752700 0.30034000 1.0 Mn Mn10 1 0.98814800 0.61842200 0.99334600 1.0 Mn Mn11 1 0.98004900 0.63722100 0.39515700 1.0 Mn Mn12 1 0.98418900 0.60066700 0.59354300 1.0 Mn Mn13 1 0.97649700 0.63033500 0.79318000 1.0 Mn Mn14 1 0.99120400 0.64803300 0.19683800 1.0 Mn Mn15 1 0.66009800 0.01485200 0.40246000 1.0 Mn Mn16 1 0.65688200 0.00674000 0.80250100 1.0 Mn Mn17 1 0.65490800 0.01063000 0.60204700 1.0 Mn Mn18 1 0.62934100 0.00300200 0.20052100 1.0 Mn Mn19 1 0.61679500 0.01635600 0.00088100 1.0 Mn Mn20 1 0.39728900 0.38242700 0.20497600 1.0 Mn Mn21 1 0.37110800 0.36364000 0.80533800 1.0 Mn Mn22 1 0.34583900 0.34289400 0.00513000 1.0 Mn Mn23 1 0.36083500 0.36440900 0.40319800 1.0 Mn Mn24 1 0.38104900 0.37080000 0.60439800 1.0 B B25 1 0.97463600 0.98823400 0.99777700 1.0 B B26 1 0.33432400 0.66403400 0.10013800 1.0 B B27 1 0.33195400 0.66953300 0.90244700 1.0 B B28 1 0.01333600 0.02249400 0.19809500 1.0 B B29 1 0.32662100 0.66416800 0.29799300 1.0 B B30 1 0.33188300 0.66468100 0.69853400 1.0 B B31 1 0.33669000 0.67805200 0.50264000 1.0 B B32 1 0.01135100 0.99951700 0.80081200 1.0 B B33 1 0.00671900 0.00131900 0.39956800 1.0 B B34 1 0.01164000 0.99131100 0.60161200 1.0 B B35 1 0.66750300 0.33381600 0.29594800 1.0 B B36 1 0.67585000 0.32606200 0.69714300 1.0 B B37 1 0.66406600 0.34162700 0.10038900 1.0 B B38 1 0.64784300 0.32086900 0.90245000 1.0 B B39 1 0.66475900 0.33224800 0.50276100 1.0 O O40 1 0.82184500 0.89006800 0.81147900 1.0 O O41 1 0.81678800 0.88791300 0.40840600 1.0 O O42 1 0.81978200 0.89600500 0.59649900 1.0 O O43 1 0.82133500 0.92288100 0.18499000 1.0 O O44 1 0.77872600 0.88783800 0.99899400 1.0 O O45 1 0.41876700 0.55431300 0.11200200 1.0 O O46 1 0.41160100 0.55765800 0.90903400 1.0 O O47 1 0.41258100 0.56162800 0.50411400 1.0 O O48 1 0.39765000 0.54135000 0.29761700 1.0 O O49 1 0.39669400 0.54152200 0.70846200 1.0 O O50 1 0.45497900 0.85456400 0.09165700 1.0 O O51 1 0.44953000 0.86607900 0.90537500 1.0 O O52 1 0.45427600 0.86854000 0.50052100 1.0 O O53 1 0.44639200 0.85500600 0.70088200 1.0 O O54 1 0.44368700 0.85474600 0.29967700 1.0 O O55 1 0.08247900 0.19032300 0.38868700 1.0 O O56 1 0.09308600 0.19066900 0.79759400 1.0 O O57 1 0.10609900 0.18285500 0.61081800 1.0 O O58 1 0.06881100 0.17714200 0.01261600 1.0 O O59 1 0.10517700 0.21705300 0.20034800 1.0 O O60 1 0.14345400 0.58413200 0.09743600 1.0 O O61 1 0.13491800 0.58838900 0.29823700 1.0 O O62 1 0.14457600 0.60497100 0.89151200 1.0 O O63 1 0.13631100 0.58464700 0.68750100 1.0 O O64 1 0.14388900 0.60823800 0.50121200 1.0 O O65 1 0.12301800 0.91709100 0.79316700 1.0 O O66 1 0.12462100 0.92460600 0.40161900 1.0 O O67 1 0.11175500 0.89584700 0.59793400 1.0 O O68 1 0.10891200 0.92671600 0.20906000 1.0 O O69 1 0.07036200 0.89347400 0.98166100 1.0 O O70 1 0.75755200 0.21455900 0.70603600 1.0 O O71 1 0.73987000 0.21329700 0.29955300 1.0 O O72 1 0.73184700 0.21622300 0.09294900 1.0 O O73 1 0.72687700 0.20719600 0.91414100 1.0 O O74 1 0.74169100 0.22019400 0.50656000 1.0 O O75 1 0.79015800 0.51625600 0.68058900 1.0 O O76 1 0.78005700 0.52229700 0.29251400 1.0 O O77 1 0.78313100 0.53132400 0.09298500 1.0 O O78 1 0.76225100 0.50872800 0.88812000 1.0 O O79 1 0.78509100 0.52932900 0.50277000 1.0 O O80 1 0.48567300 0.25489800 0.70436700 1.0 O O81 1 0.47067600 0.25829800 0.29454000 1.0 O O82 1 0.47472200 0.26953700 0.11489900 1.0 O O83 1 0.45443000 0.24316300 0.90609200 1.0 O O84 1 0.47220800 0.26233600 0.50004800 1.0