# generated using pymatgen data_Li5Mn6(BO3)6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 14.74462498 _cell_length_b 14.74462498 _cell_length_c 8.24060698 _cell_angle_alpha 89.58026406 _cell_angle_beta 89.58026406 _cell_angle_gamma 24.99165005 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li5Mn6(BO3)6 _chemical_formula_sum 'Li10 Mn12 B12 O36' _cell_volume 756.87984833 _cell_formula_units_Z 2 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 0.74488600 0.74488600 0.71046300 1.0 Li Li1 1 0.24498100 0.24498100 0.70807800 1.0 Li Li2 1 0.92926700 0.92926700 0.65781700 1.0 Li Li3 1 0.42924400 0.42924400 0.65875500 1.0 Li Li4 1 0.57352300 0.57352300 0.63101200 1.0 Li Li5 1 0.99372800 0.99372800 0.21071900 1.0 Li Li6 1 0.49515600 0.49515600 0.21286700 1.0 Li Li7 1 0.67930900 0.67930900 0.15659800 1.0 Li Li8 1 0.17891000 0.17891000 0.16156300 1.0 Li Li9 1 0.32394300 0.32394300 0.13115400 1.0 Mn Mn10 1 0.75794000 0.25143000 0.86431000 1.0 Mn Mn11 1 0.25143000 0.75794000 0.86431000 1.0 Mn Mn12 1 0.90631200 0.40357100 0.82232500 1.0 Mn Mn13 1 0.40357100 0.90631200 0.82232500 1.0 Mn Mn14 1 0.59170200 0.08893000 0.81745300 1.0 Mn Mn15 1 0.08893000 0.59170200 0.81745300 1.0 Mn Mn16 1 0.50892400 0.00031700 0.35896000 1.0 Mn Mn17 1 0.00031700 0.50892400 0.35896000 1.0 Mn Mn18 1 0.65847600 0.14914600 0.32247700 1.0 Mn Mn19 1 0.14914600 0.65847600 0.32247700 1.0 Mn Mn20 1 0.84700800 0.33324900 0.31833800 1.0 Mn Mn21 1 0.33324900 0.84700800 0.31833800 1.0 B B22 1 0.00452100 0.49202800 0.99703700 1.0 B B23 1 0.49202800 0.00452100 0.99703700 1.0 B B24 1 0.91854100 0.91854100 0.99995400 1.0 B B25 1 0.41771000 0.41771000 0.99910300 1.0 B B26 1 0.08228700 0.08228700 0.00768800 1.0 B B27 1 0.58283800 0.58283800 0.00154500 1.0 B B28 1 0.74394100 0.25228500 0.49896700 1.0 B B29 1 0.25228500 0.74394100 0.49896700 1.0 B B30 1 0.33341200 0.33341200 0.50199700 1.0 B B31 1 0.83215900 0.83215900 0.50742900 1.0 B B32 1 0.66636600 0.66636600 0.49928200 1.0 B B33 1 0.16922100 0.16922100 0.49940500 1.0 O O34 1 0.46571500 0.46571500 0.98572400 1.0 O O35 1 0.96652400 0.96652400 0.97975800 1.0 O O36 1 0.63122800 0.63122800 0.98051200 1.0 O O37 1 0.13076000 0.13076000 0.98683000 1.0 O O38 1 0.05430900 0.05430900 0.87377400 1.0 O O39 1 0.55501000 0.55501000 0.86346600 1.0 O O40 1 0.89010300 0.89010300 0.86527900 1.0 O O41 1 0.39005500 0.39005500 0.86217600 1.0 O O42 1 0.97677800 0.47790200 0.84427800 1.0 O O43 1 0.47790200 0.97677800 0.84427800 1.0 O O44 1 0.81348700 0.81348700 0.66427200 1.0 O O45 1 0.31392300 0.31392300 0.65578200 1.0 O O46 1 0.64436500 0.64436500 0.65092700 1.0 O O47 1 0.15251700 0.15251700 0.65731000 1.0 O O48 1 0.72101400 0.22039600 0.64047000 1.0 O O49 1 0.22039600 0.72101400 0.64047000 1.0 O O50 1 0.77579800 0.31480700 0.50840200 1.0 O O51 1 0.31480700 0.77579800 0.50840200 1.0 O O52 1 0.21708400 0.21708400 0.47523600 1.0 O O53 1 0.71422900 0.71422900 0.48791900 1.0 O O54 1 0.88059600 0.88059600 0.48576500 1.0 O O55 1 0.38189700 0.38189700 0.48177900 1.0 O O56 1 0.80379000 0.80379000 0.37454700 1.0 O O57 1 0.30599100 0.30599100 0.36379700 1.0 O O58 1 0.63930100 0.63930100 0.36088200 1.0 O O59 1 0.13980500 0.13980500 0.36718000 1.0 O O60 1 0.72874000 0.22365000 0.34773900 1.0 O O61 1 0.22365000 0.72874000 0.34773900 1.0 O O62 1 0.06319700 0.06319700 0.16405100 1.0 O O63 1 0.56339300 0.56339300 0.15491000 1.0 O O64 1 0.90111600 0.90111600 0.15662500 1.0 O O65 1 0.39627500 0.39627500 0.15156700 1.0 O O66 1 0.97126600 0.46865900 0.13643200 1.0 O O67 1 0.46865900 0.97126600 0.13643200 1.0 O O68 1 0.52618100 0.06429900 0.00801400 1.0 O O69 1 0.06429900 0.52618100 0.00801400 1.0