# generated using pymatgen data_Li2Mn3(BO3)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 14.68785556 _cell_length_b 14.68785556 _cell_length_c 8.30196327 _cell_angle_alpha 89.61336272 _cell_angle_beta 89.61336272 _cell_angle_gamma 24.94420207 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li2Mn3(BO3)3 _chemical_formula_sum 'Li8 Mn12 B12 O36' _cell_volume 755.31363815 _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 0.74294900 0.74294900 0.28664100 1.0 Li Li1 1 0.92807300 0.92807300 0.33656000 1.0 Li Li2 1 0.07286500 0.07286500 0.36814600 1.0 Li Li3 1 0.57313800 0.57313800 0.36920400 1.0 Li Li4 1 0.49309400 0.49309400 0.78798500 1.0 Li Li5 1 0.17828600 0.17828600 0.83886900 1.0 Li Li6 1 0.82323400 0.82323400 0.87059000 1.0 Li Li7 1 0.32233800 0.32233800 0.86910400 1.0 Mn Mn8 1 0.75294400 0.24409100 0.13015600 1.0 Mn Mn9 1 0.24409100 0.75294400 0.13015600 1.0 Mn Mn10 1 0.90769900 0.40620800 0.16977100 1.0 Mn Mn11 1 0.40620800 0.90769900 0.16977100 1.0 Mn Mn12 1 0.58763600 0.08855200 0.19826500 1.0 Mn Mn13 1 0.08855200 0.58763600 0.19826500 1.0 Mn Mn14 1 0.49714600 0.00079800 0.62751400 1.0 Mn Mn15 1 0.00079800 0.49714600 0.62751400 1.0 Mn Mn16 1 0.65667400 0.15646000 0.66790400 1.0 Mn Mn17 1 0.15646000 0.65667400 0.66790400 1.0 Mn Mn18 1 0.83971100 0.33534000 0.69791500 1.0 Mn Mn19 1 0.33534000 0.83971100 0.69791500 1.0 B B20 1 0.00086800 0.49790500 0.99778000 1.0 B B21 1 0.49790500 0.00086800 0.99778000 1.0 B B22 1 0.41301200 0.41301200 0.99499400 1.0 B B23 1 0.91337000 0.91337000 0.00262400 1.0 B B24 1 0.57921300 0.57921300 0.00566600 1.0 B B25 1 0.08235300 0.08235300 0.00002000 1.0 B B26 1 0.75165100 0.24613800 0.49710500 1.0 B B27 1 0.24613800 0.75165100 0.49710500 1.0 B B28 1 0.83068900 0.83068900 0.50037800 1.0 B B29 1 0.33197400 0.33197400 0.50509400 1.0 B B30 1 0.16335100 0.16335100 0.50178400 1.0 B B31 1 0.66277600 0.66277600 0.49853000 1.0 O O32 1 0.96066900 0.96066900 0.03371800 1.0 O O33 1 0.46118500 0.46118500 0.01328600 1.0 O O34 1 0.13091800 0.13091800 0.01827500 1.0 O O35 1 0.62634700 0.62634700 0.02678600 1.0 O O36 1 0.54892000 0.54892000 0.13960400 1.0 O O37 1 0.05315700 0.05315700 0.13415800 1.0 O O38 1 0.38268300 0.38268300 0.12471200 1.0 O O39 1 0.88332500 0.88332500 0.13587500 1.0 O O40 1 0.96203900 0.49218900 0.14445200 1.0 O O41 1 0.49218900 0.96203900 0.14445200 1.0 O O42 1 0.31395500 0.31395500 0.34981600 1.0 O O43 1 0.81094200 0.81094200 0.34655400 1.0 O O44 1 0.14413900 0.14413900 0.34887300 1.0 O O45 1 0.64415500 0.64415500 0.34405900 1.0 O O46 1 0.74532000 0.20123500 0.35763500 1.0 O O47 1 0.20123500 0.74532000 0.35763500 1.0 O O48 1 0.79882600 0.29650300 0.48806800 1.0 O O49 1 0.29650300 0.79882600 0.48806800 1.0 O O50 1 0.71104600 0.71104600 0.51484700 1.0 O O51 1 0.21056500 0.21056500 0.52912500 1.0 O O52 1 0.37952500 0.37952500 0.52680100 1.0 O O53 1 0.87894400 0.87894400 0.51609800 1.0 O O54 1 0.30142900 0.30142900 0.63705700 1.0 O O55 1 0.80158000 0.80158000 0.63549300 1.0 O O56 1 0.13420200 0.13420200 0.63774700 1.0 O O57 1 0.63255500 0.63255500 0.62888900 1.0 O O58 1 0.71201500 0.24129500 0.64423500 1.0 O O59 1 0.24129500 0.71201500 0.64423500 1.0 O O60 1 0.56002300 0.56002300 0.85035300 1.0 O O61 1 0.06371900 0.06371900 0.84616100 1.0 O O62 1 0.39440400 0.39440400 0.84120600 1.0 O O63 1 0.89540800 0.89540800 0.84786200 1.0 O O64 1 0.99208700 0.45528600 0.85794200 1.0 O O65 1 0.45528600 0.99208700 0.85794200 1.0 O O66 1 0.55393500 0.04132200 0.98967400 1.0 O O67 1 0.04132200 0.55393500 0.98967400 1.0