# generated using pymatgen data_Li2Mn3(BO3)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.89120431 _cell_length_b 8.89120431 _cell_length_c 14.31392780 _cell_angle_alpha 89.39127760 _cell_angle_beta 89.39127760 _cell_angle_gamma 41.82834587 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li2Mn3(BO3)3 _chemical_formula_sum 'Li8 Mn12 B12 O36' _cell_volume 754.59410694 _cell_formula_units_Z 4 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 0.66947400 0.66947400 0.14099500 1.0 Li Li1 1 0.68559800 0.68559800 0.85074300 1.0 Li Li2 1 0.14587100 0.14587100 0.51267000 1.0 Li Li3 1 0.16952400 0.16952400 0.14007600 1.0 Li Li4 1 0.92000100 0.92000100 0.63994300 1.0 Li Li5 1 0.39435500 0.39435500 0.00925100 1.0 Li Li6 1 0.41898200 0.41898200 0.64087400 1.0 Li Li7 1 0.43530200 0.43530200 0.35047300 1.0 Mn Mn8 1 0.34413000 0.84314100 0.32472200 1.0 Mn Mn9 1 0.34035500 0.84188300 0.68576900 1.0 Mn Mn10 1 0.09293100 0.59365000 0.82418100 1.0 Mn Mn11 1 0.08767700 0.59531200 0.18513700 1.0 Mn Mn12 1 0.06086600 0.57173600 0.48938200 1.0 Mn Mn13 1 0.31245800 0.82057500 0.98992200 1.0 Mn Mn14 1 0.82057500 0.31245800 0.98992200 1.0 Mn Mn15 1 0.57173600 0.06086600 0.48938200 1.0 Mn Mn16 1 0.59531200 0.08767700 0.18513700 1.0 Mn Mn17 1 0.59365000 0.09293100 0.82418100 1.0 Mn Mn18 1 0.84188300 0.34035500 0.68576900 1.0 Mn Mn19 1 0.84314100 0.34413000 0.32472200 1.0 B B20 1 0.74689200 0.74689200 0.32886400 1.0 B B21 1 0.50050800 0.50050800 0.16417800 1.0 B B22 1 0.50031000 0.50031000 0.83210000 1.0 B B23 1 0.24951800 0.74769200 0.50324800 1.0 B B24 1 0.49853300 0.99785700 0.00317200 1.0 B B25 1 0.75310000 0.75310000 0.66639100 1.0 B B26 1 0.99680400 0.99680400 0.83042500 1.0 B B27 1 0.00468400 0.00468400 0.16773300 1.0 B B28 1 0.99785700 0.49853300 0.00317200 1.0 B B29 1 0.74769200 0.24951800 0.50324800 1.0 B B30 1 0.25211700 0.25211700 0.66415100 1.0 B B31 1 0.25072400 0.25072400 0.33288000 1.0 O O32 1 0.97793500 0.51075300 0.90745200 1.0 O O33 1 0.51039100 0.51039100 0.73542000 1.0 O O34 1 0.50647900 0.50647900 0.06707800 1.0 O O35 1 0.56839700 0.56839700 0.88916300 1.0 O O36 1 0.56820300 0.56820300 0.21916800 1.0 O O37 1 0.66918700 0.66918700 0.36446800 1.0 O O38 1 0.67598200 0.67598200 0.70582300 1.0 O O39 1 0.09248200 0.55031400 0.04669900 1.0 O O40 1 0.26291100 0.72683000 0.40747500 1.0 O O41 1 0.51075300 0.97793500 0.90745200 1.0 O O42 1 0.43164200 0.92285300 0.05693700 1.0 O O43 1 0.17963400 0.67512700 0.55660500 1.0 O O44 1 0.30360100 0.84007800 0.54674300 1.0 O O45 1 0.76045400 0.76045400 0.23204800 1.0 O O46 1 0.81178500 0.81178500 0.38881400 1.0 O O47 1 0.81898100 0.81898100 0.72508100 1.0 O O48 1 0.06807500 0.06807500 0.23108800 1.0 O O49 1 0.76657100 0.76657100 0.57116900 1.0 O O50 1 0.91973400 0.91973400 0.86740800 1.0 O O51 1 0.92554100 0.92554100 0.19626000 1.0 O O52 1 0.00965200 0.00965200 0.73361500 1.0 O O53 1 0.17499500 0.17499500 0.37511300 1.0 O O54 1 0.02524200 0.02524200 0.07371100 1.0 O O55 1 0.06216600 0.06216600 0.88974100 1.0 O O56 1 0.17372100 0.17372100 0.69627800 1.0 O O57 1 0.84007800 0.30360100 0.54674300 1.0 O O58 1 0.67512700 0.17963400 0.55660500 1.0 O O59 1 0.92285300 0.43164200 0.05693700 1.0 O O60 1 0.72683000 0.26291100 0.40747500 1.0 O O61 1 0.55031400 0.09248200 0.04669900 1.0 O O62 1 0.26428300 0.26428300 0.56726100 1.0 O O63 1 0.31771100 0.31771100 0.72354900 1.0 O O64 1 0.31944900 0.31944900 0.38906200 1.0 O O65 1 0.42384000 0.42384000 0.87243600 1.0 O O66 1 0.25978100 0.25978100 0.23630800 1.0 O O67 1 0.42456900 0.42456900 0.20692400 1.0