# generated using pymatgen data_Li2Mn3(BO3)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 14.65184787 _cell_length_b 14.65184787 _cell_length_c 8.29543622 _cell_angle_alpha 89.62721142 _cell_angle_beta 89.62721142 _cell_angle_gamma 25.00576547 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li2Mn3(BO3)3 _chemical_formula_sum 'Li8 Mn12 B12 O36' _cell_volume 752.75968303 _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 0.74631300 0.74631300 0.71294200 1.0 Li Li1 1 0.93035900 0.93035900 0.66048100 1.0 Li Li2 1 0.43135400 0.43135400 0.66236400 1.0 Li Li3 1 0.57505000 0.57505000 0.63201100 1.0 Li Li4 1 0.99604400 0.99604400 0.21050300 1.0 Li Li5 1 0.68064600 0.68064600 0.15711300 1.0 Li Li6 1 0.18021100 0.18021100 0.16614800 1.0 Li Li7 1 0.32567500 0.32567500 0.13021200 1.0 Mn Mn8 1 0.75534500 0.25636600 0.86630200 1.0 Mn Mn9 1 0.25636600 0.75534500 0.86630200 1.0 Mn Mn10 1 0.91123700 0.40638600 0.81780600 1.0 Mn Mn11 1 0.40638600 0.91123700 0.81780600 1.0 Mn Mn12 1 0.58612400 0.09037000 0.81507600 1.0 Mn Mn13 1 0.09037000 0.58612400 0.81507600 1.0 Mn Mn14 1 0.50553000 0.00580300 0.36772300 1.0 Mn Mn15 1 0.00580300 0.50553000 0.36772300 1.0 Mn Mn16 1 0.65796200 0.15814800 0.31801600 1.0 Mn Mn17 1 0.15814800 0.65796200 0.31801600 1.0 Mn Mn18 1 0.83747200 0.34002200 0.31438000 1.0 Mn Mn19 1 0.34002200 0.83747200 0.31438000 1.0 B B20 1 0.99933400 0.50022100 0.00445000 1.0 B B21 1 0.50022100 0.99933400 0.00445000 1.0 B B22 1 0.91847500 0.91847500 0.99983100 1.0 B B23 1 0.41768300 0.41768300 0.99229800 1.0 B B24 1 0.08364200 0.08364200 0.00385700 1.0 B B25 1 0.58668500 0.58668500 0.00004900 1.0 B B26 1 0.74867200 0.24937700 0.50354000 1.0 B B27 1 0.24937700 0.74867200 0.50354000 1.0 B B28 1 0.33742000 0.33742000 0.49689400 1.0 B B29 1 0.83371600 0.83371600 0.50642700 1.0 B B30 1 0.66729400 0.66729400 0.49813700 1.0 B B31 1 0.16867800 0.16867800 0.49404100 1.0 O O32 1 0.46529700 0.46529700 0.96559900 1.0 O O33 1 0.96681900 0.96681900 0.97841100 1.0 O O34 1 0.63514900 0.63514900 0.97305300 1.0 O O35 1 0.13188700 0.13188700 0.98177300 1.0 O O36 1 0.05427000 0.05427000 0.87200600 1.0 O O37 1 0.55706000 0.55706000 0.86571400 1.0 O O38 1 0.88922400 0.88922400 0.86907700 1.0 O O39 1 0.38834400 0.38834400 0.86012800 1.0 O O40 1 0.95848300 0.49671200 0.85787800 1.0 O O41 1 0.49671200 0.95848300 0.85787800 1.0 O O42 1 0.81442800 0.81442800 0.66202300 1.0 O O43 1 0.31922700 0.31922700 0.64860700 1.0 O O44 1 0.64540800 0.64540800 0.64778400 1.0 O O45 1 0.15464800 0.15464800 0.65351400 1.0 O O46 1 0.72061800 0.22373400 0.64488700 1.0 O O47 1 0.22373400 0.72061800 0.64488700 1.0 O O48 1 0.78007600 0.31333900 0.51101000 1.0 O O49 1 0.31333900 0.78007600 0.51101000 1.0 O O50 1 0.21567500 0.21567500 0.45343200 1.0 O O51 1 0.71582100 0.71582100 0.48945400 1.0 O O52 1 0.88175100 0.88175100 0.48436000 1.0 O O53 1 0.38634200 0.38634200 0.47255300 1.0 O O54 1 0.80410600 0.80410600 0.37523200 1.0 O O55 1 0.30826300 0.30826300 0.36224200 1.0 O O56 1 0.64084000 0.64084000 0.35986800 1.0 O O57 1 0.13657200 0.13657200 0.36988100 1.0 O O58 1 0.74439100 0.20978800 0.35647500 1.0 O O59 1 0.20978800 0.74439100 0.35647500 1.0 O O60 1 0.06433400 0.06433400 0.15849400 1.0 O O61 1 0.56873800 0.56873800 0.15248800 1.0 O O62 1 0.90222200 0.90222200 0.15758700 1.0 O O63 1 0.39795000 0.39795000 0.14548900 1.0 O O64 1 0.97279800 0.47324200 0.14619300 1.0 O O65 1 0.47324200 0.97279800 0.14619300 1.0 O O66 1 0.52766400 0.06497400 0.01164800 1.0 O O67 1 0.06497400 0.52766400 0.01164800 1.0