# generated using pymatgen data_Li2Mn3(BO3)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.27542800 _cell_length_b 8.84913073 _cell_length_c 12.63806731 _cell_angle_alpha 69.81588902 _cell_angle_beta 71.03982696 _cell_angle_gamma 62.37672147 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li2Mn3(BO3)3 _chemical_formula_sum 'Li8 Mn12 B12 O36' _cell_volume 754.35249831 _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 0.01443600 0.08450000 0.19598200 1.0 Li Li1 1 0.27871400 0.41151000 0.29824500 1.0 Li Li2 1 0.01494100 0.58871800 0.69233400 1.0 Li Li3 1 0.02766800 0.83966200 0.44062300 1.0 Li Li4 1 0.27667800 0.89659600 0.80282500 1.0 Li Li5 1 0.69766900 0.38577300 0.63194200 1.0 Li Li6 1 0.69443400 0.13567800 0.88303100 1.0 Li Li7 1 0.70764400 0.88855800 0.12955900 1.0 Mn Mn8 1 0.63792500 0.02285600 0.34480500 1.0 Mn Mn9 1 0.62228400 0.29627000 0.09560700 1.0 Mn Mn10 1 0.35976200 0.23806700 0.74529000 1.0 Mn Mn11 1 0.37232900 0.48313500 0.49754300 1.0 Mn Mn12 1 0.39358400 0.73853800 0.24781200 1.0 Mn Mn13 1 0.99850700 0.48091200 0.15833400 1.0 Mn Mn14 1 0.99267300 0.24103200 0.41235400 1.0 Mn Mn15 1 0.63486400 0.77940300 0.59212600 1.0 Mn Mn16 1 0.64837700 0.52349800 0.84341100 1.0 Mn Mn17 1 0.35420700 0.98951300 0.99788300 1.0 Mn Mn18 1 0.99413800 0.72355600 0.90976500 1.0 Mn Mn19 1 0.99608800 0.97507600 0.65768400 1.0 B B20 1 0.33461200 0.12316900 0.21002600 1.0 B B21 1 0.01126000 0.75517000 0.24616500 1.0 B B22 1 0.00002400 0.50724700 0.50304000 1.0 B B23 1 0.33357400 0.87168000 0.45345700 1.0 B B24 1 0.33329300 0.62370500 0.70889000 1.0 B B25 1 0.67225000 0.37804100 0.28157600 1.0 B B26 1 0.65982300 0.62759100 0.05190700 1.0 B B27 1 0.33824500 0.36511100 0.96085500 1.0 B B28 1 0.67543800 0.12464600 0.54082900 1.0 B B29 1 0.98230000 0.00756200 0.00224900 1.0 B B30 1 0.99341800 0.24743500 0.74796900 1.0 B B31 1 0.66493600 0.87142500 0.79353500 1.0 O O32 1 0.07599200 0.06747200 0.03934600 1.0 O O33 1 0.14458700 0.20176600 0.23532200 1.0 O O34 1 0.10599000 0.60269100 0.20801000 1.0 O O35 1 0.10061100 0.09455800 0.70992700 1.0 O O36 1 0.10606500 0.37720900 0.44340300 1.0 O O37 1 0.07829700 0.34045400 0.76062100 1.0 O O38 1 0.08491900 0.59470700 0.52563700 1.0 O O39 1 0.10540900 0.82681300 0.27658100 1.0 O O40 1 0.44240400 0.19775200 0.22251700 1.0 O O41 1 0.78723600 0.07776300 0.02468600 1.0 O O42 1 0.13930400 0.70916300 0.73201200 1.0 O O43 1 0.14413700 0.96391300 0.48377400 1.0 O O44 1 0.47853400 0.47216700 0.30704200 1.0 O O45 1 0.46770200 0.71501900 0.08830400 1.0 O O46 1 0.48556600 0.21159900 0.56856000 1.0 O O47 1 0.15247800 0.46719700 0.98912400 1.0 O O48 1 0.39315400 0.73065900 0.40333700 1.0 O O49 1 0.73807600 0.23609700 0.22986600 1.0 O O50 1 0.40359400 0.22378200 0.91262400 1.0 O O51 1 0.42546400 0.96836000 0.17146300 1.0 O O52 1 0.41578900 0.47945800 0.66130100 1.0 O O53 1 0.08250400 0.87648100 0.94206700 1.0 O O54 1 0.46248100 0.91149300 0.47156000 1.0 O O55 1 0.43956300 0.68509000 0.73437400 1.0 O O56 1 0.79271600 0.42141800 0.30409600 1.0 O O57 1 0.78272300 0.68416000 0.06239200 1.0 O O58 1 0.79172100 0.17926900 0.56473900 1.0 O O59 1 0.47063600 0.40632000 0.97874600 1.0 O O60 1 0.79946500 0.30610800 0.77352700 1.0 O O61 1 0.81061100 0.55342200 0.54154100 1.0 O O62 1 0.82071600 0.84023200 0.25568100 1.0 O O63 1 0.47183800 0.95218100 0.82328100 1.0 O O64 1 0.72239100 0.48336400 0.00648300 1.0 O O65 1 0.74533500 0.73032100 0.74086600 1.0 O O66 1 0.75301400 0.98285000 0.48916600 1.0 O O67 1 0.77918500 0.92802300 0.81536000 1.0