# generated using pymatgen data_Li2Mn3(BO3)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.82437206 _cell_length_b 8.82437206 _cell_length_c 14.40464162 _cell_angle_alpha 89.94873101 _cell_angle_beta 89.94873101 _cell_angle_gamma 42.09772979 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li2Mn3(BO3)3 _chemical_formula_sum 'Li8 Mn12 B12 O36' _cell_volume 751.97271835 _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 0.14484200 0.14484200 0.49038000 1.0 Li Li1 1 0.17104600 0.17104600 0.86085700 1.0 Li Li2 1 0.39620300 0.39620300 0.98577400 1.0 Li Li3 1 0.68568100 0.68568100 0.15134200 1.0 Li Li4 1 0.42093300 0.42093300 0.36140800 1.0 Li Li5 1 0.64692300 0.64692300 0.48937200 1.0 Li Li6 1 0.89376800 0.89376800 0.99221900 1.0 Li Li7 1 0.93556500 0.93556500 0.64878600 1.0 Mn Mn8 1 0.32953600 0.83955200 0.31087300 1.0 Mn Mn9 1 0.31981700 0.82254800 0.00546500 1.0 Mn Mn10 1 0.09358800 0.59387100 0.18380000 1.0 Mn Mn11 1 0.08311900 0.58617000 0.81094300 1.0 Mn Mn12 1 0.07288500 0.57033300 0.50565800 1.0 Mn Mn13 1 0.34663700 0.83988900 0.68406200 1.0 Mn Mn14 1 0.83988900 0.34663700 0.68406200 1.0 Mn Mn15 1 0.57033300 0.07288500 0.50565800 1.0 Mn Mn16 1 0.58617000 0.08311900 0.81094300 1.0 Mn Mn17 1 0.59387100 0.09358800 0.18380000 1.0 Mn Mn18 1 0.82254800 0.31981700 0.00546500 1.0 Mn Mn19 1 0.83955200 0.32953600 0.31087300 1.0 B B20 1 0.24952400 0.24952400 0.33705700 1.0 B B21 1 0.24501400 0.24501400 0.66590100 1.0 B B22 1 0.00223700 0.50313900 0.00024400 1.0 B B23 1 0.25384800 0.75349100 0.50017700 1.0 B B24 1 0.49806700 0.49806700 0.16614700 1.0 B B25 1 0.49741600 0.49741600 0.83594600 1.0 B B26 1 0.74640600 0.74640600 0.33296500 1.0 B B27 1 0.75349100 0.25384800 0.50017700 1.0 B B28 1 0.50313900 0.00223700 0.00024400 1.0 B B29 1 0.75198100 0.75198100 0.66363200 1.0 B B30 1 0.00001500 0.00001500 0.16175900 1.0 B B31 1 0.99886600 0.99886600 0.83478400 1.0 O O32 1 0.06939300 0.06939300 0.78214700 1.0 O O33 1 0.01221200 0.01221200 0.25686000 1.0 O O34 1 0.00343100 0.00343100 0.93041800 1.0 O O35 1 0.06618500 0.06618500 0.10247800 1.0 O O36 1 0.17158000 0.17158000 0.30339700 1.0 O O37 1 0.16604200 0.16604200 0.62934300 1.0 O O38 1 0.23047400 0.76858900 0.59545100 1.0 O O39 1 0.41536100 0.95021700 0.94881200 1.0 O O40 1 0.07728700 0.57892200 0.95569800 1.0 O O41 1 0.33182800 0.82668800 0.45599400 1.0 O O42 1 0.20031800 0.66725700 0.44890100 1.0 O O43 1 0.51738200 0.98043900 0.09535400 1.0 O O44 1 0.42095800 0.42095800 0.12650900 1.0 O O45 1 0.31075100 0.31075100 0.60827700 1.0 O O46 1 0.41631500 0.41631500 0.81070400 1.0 O O47 1 0.50593500 0.50593500 0.26268900 1.0 O O48 1 0.51480600 0.51480600 0.93067600 1.0 O O49 1 0.55815100 0.55815100 0.77018800 1.0 O O50 1 0.56713700 0.56713700 0.11106300 1.0 O O51 1 0.67419400 0.67419400 0.62652500 1.0 O O52 1 0.26069000 0.26069000 0.43267000 1.0 O O53 1 0.25515500 0.25515500 0.76244500 1.0 O O54 1 0.31758100 0.31758100 0.27994900 1.0 O O55 1 0.66802600 0.66802600 0.29549200 1.0 O O56 1 0.98043900 0.51738200 0.09535400 1.0 O O57 1 0.66725700 0.20031800 0.44890100 1.0 O O58 1 0.82668800 0.33182800 0.45599400 1.0 O O59 1 0.57892200 0.07728700 0.95569800 1.0 O O60 1 0.95021700 0.41536100 0.94881200 1.0 O O61 1 0.76858900 0.23047400 0.59545100 1.0 O O62 1 0.81004400 0.81004400 0.27092200 1.0 O O63 1 0.75752700 0.75752700 0.42800500 1.0 O O64 1 0.76270300 0.76270300 0.75893400 1.0 O O65 1 0.82020800 0.82020800 0.60575000 1.0 O O66 1 0.92118100 0.92118100 0.12689800 1.0 O O67 1 0.92396300 0.92396300 0.79013600 1.0