# generated using pymatgen data_LiMn2(BO3)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.25285500 _cell_length_b 11.59501525 _cell_length_c 13.93360151 _cell_angle_alpha 113.76639443 _cell_angle_beta 90.88920247 _cell_angle_gamma 102.28115854 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiMn2(BO3)2 _chemical_formula_sum 'Li6 Mn12 B12 O36' _cell_volume 754.03061506 _cell_formula_units_Z 6 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 0.98015200 0.52326700 0.62334700 1.0 Li Li1 1 0.46408500 0.44207100 0.89614400 1.0 Li Li2 1 0.01647100 0.15036300 0.70651800 1.0 Li Li3 1 0.55001700 0.24429300 0.43081600 1.0 Li Li4 1 0.02208900 0.88935000 0.28408500 1.0 Li Li5 1 0.53815700 0.55434000 0.10825900 1.0 Mn Mn6 1 0.35737600 0.04779300 0.82620100 1.0 Mn Mn7 1 0.19774500 0.94084200 0.43726700 1.0 Mn Mn8 1 0.64748500 0.28607600 0.84518000 1.0 Mn Mn9 1 0.80491800 0.38144100 0.24512100 1.0 Mn Mn10 1 0.39273900 0.40988200 0.47578200 1.0 Mn Mn11 1 0.20684300 0.28984200 0.09493300 1.0 Mn Mn12 1 0.81197500 0.73625400 0.89186500 1.0 Mn Mn13 1 0.63355400 0.61081500 0.51718000 1.0 Mn Mn14 1 0.21527600 0.62278300 0.76040400 1.0 Mn Mn15 1 0.39268500 0.73955900 0.14160500 1.0 Mn Mn16 1 0.81077600 0.06550400 0.57158800 1.0 Mn Mn17 1 0.66034300 0.96752200 0.16735800 1.0 B B18 1 0.30515500 0.72238400 0.39910000 1.0 B B19 1 0.10856600 0.59670900 0.02442900 1.0 B B20 1 0.85332100 0.70535800 0.66480900 1.0 B B21 1 0.71294600 0.95103700 0.92344700 1.0 B B22 1 0.73177500 0.62636800 0.25101400 1.0 B B23 1 0.86431200 0.05316700 0.32391500 1.0 B B24 1 0.16563700 0.98458100 0.65955300 1.0 B B25 1 0.28615700 0.38984800 0.73740400 1.0 B B26 1 0.29064100 0.06644300 0.07256700 1.0 B B27 1 0.14350800 0.28525700 0.34827700 1.0 B B28 1 0.86064100 0.38925000 0.98421000 1.0 B B29 1 0.69599100 0.27530100 0.59964000 1.0 O O30 1 0.48901500 0.32765100 0.75859800 1.0 O O31 1 0.35564100 0.22759600 0.36421500 1.0 O O32 1 0.15680100 0.74405200 0.92779400 1.0 O O33 1 0.10990100 0.68371200 0.47563100 1.0 O O34 1 0.85901800 0.50242700 0.11408300 1.0 O O35 1 0.70882900 0.20717100 0.67995500 1.0 O O36 1 0.03044600 0.73937600 0.59155600 1.0 O O37 1 0.56361400 0.05280000 0.89635700 1.0 O O38 1 0.64693700 0.75849400 0.19922900 1.0 O O39 1 0.68008500 0.12601400 0.31983600 1.0 O O40 1 0.51755500 0.65788000 0.41509200 1.0 O O41 1 0.33125300 0.54073600 0.03027400 1.0 O O42 1 0.34534900 0.18074900 0.97779500 1.0 O O43 1 0.95266700 0.92680300 0.73882800 1.0 O O44 1 0.23119500 0.13882700 0.55518600 1.0 O O45 1 0.26708500 0.45376100 0.65811800 1.0 O O46 1 0.10259100 0.38141300 0.80089100 1.0 O O47 1 0.77563900 0.55009500 0.76952000 1.0 O O48 1 0.09493000 0.05149400 0.14099300 1.0 O O49 1 0.90724100 0.98650300 0.84787500 1.0 O O50 1 0.65250900 0.50701700 0.34983100 1.0 O O51 1 0.90484300 0.61653000 0.19590900 1.0 O O52 1 0.20798300 0.42322200 0.24611800 1.0 O O53 1 0.06241000 0.11565800 0.23915400 1.0 O O54 1 0.83115500 0.90717600 0.41770700 1.0 O O55 1 0.65472200 0.81592700 0.02028400 1.0 O O56 1 0.64468800 0.44640700 0.97089300 1.0 O O57 1 0.49303400 0.33932300 0.57768200 1.0 O O58 1 0.34327300 0.90887700 0.66577800 1.0 O O59 1 0.41394200 0.95575200 0.11463200 1.0 O O60 1 0.88720100 0.20837800 0.42960400 1.0 O O61 1 0.31307500 0.81767000 0.31148900 1.0 O O62 1 0.13426800 0.48613000 0.89964300 1.0 O O63 1 0.89212100 0.29239900 0.53240200 1.0 O O64 1 0.78833500 0.23415300 0.08690200 1.0 O O65 1 0.71500400 0.80528000 0.65183900 1.0