# generated using pymatgen data_Li5Mn6(BO3)6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.90657301 _cell_length_b 8.90657301 _cell_length_c 14.28378686 _cell_angle_alpha 89.86587590 _cell_angle_beta 89.86587590 _cell_angle_gamma 41.85915648 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li5Mn6(BO3)6 _chemical_formula_sum 'Li10 Mn12 B12 O36' _cell_volume 756.11100381 _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 0.39493800 0.39493800 0.00919200 1.0 Li Li1 1 0.42025100 0.42025100 0.64074500 1.0 Li Li2 1 0.92061200 0.92061200 0.64032400 1.0 Li Li3 1 0.93384900 0.93384900 0.35088700 1.0 Li Li4 1 0.43389200 0.43389200 0.35012800 1.0 Li Li5 1 0.64450300 0.64450300 0.50880900 1.0 Li Li6 1 0.67024800 0.67024800 0.14089900 1.0 Li Li7 1 0.17061300 0.17061300 0.14010000 1.0 Li Li8 1 0.68347300 0.68347300 0.85128400 1.0 Li Li9 1 0.18424300 0.18424300 0.84961500 1.0 Mn Mn10 1 0.06541200 0.56043900 0.49428300 1.0 Mn Mn11 1 0.56043900 0.06541200 0.49428300 1.0 Mn Mn12 1 0.08779500 0.59166600 0.18186800 1.0 Mn Mn13 1 0.59166600 0.08779500 0.18186800 1.0 Mn Mn14 1 0.60032600 0.09400200 0.82463400 1.0 Mn Mn15 1 0.09400200 0.60032600 0.82463400 1.0 Mn Mn16 1 0.31081700 0.81519400 0.99426100 1.0 Mn Mn17 1 0.81519400 0.31081700 0.99426100 1.0 Mn Mn18 1 0.33775000 0.84204600 0.68182500 1.0 Mn Mn19 1 0.84204600 0.33775000 0.68182500 1.0 Mn Mn20 1 0.34390100 0.85051800 0.32460900 1.0 Mn Mn21 1 0.85051800 0.34390100 0.32460900 1.0 B B22 1 0.00153600 0.49415500 0.00022000 1.0 B B23 1 0.49415500 0.00153600 0.00022000 1.0 B B24 1 0.75019900 0.75019900 0.66740400 1.0 B B25 1 0.25339600 0.25339600 0.66939500 1.0 B B26 1 0.75041900 0.75041900 0.33293900 1.0 B B27 1 0.25116300 0.25116300 0.32997200 1.0 B B28 1 0.25191700 0.74368800 0.50014100 1.0 B B29 1 0.74368800 0.25191700 0.50014100 1.0 B B30 1 0.50077900 0.50077900 0.83317700 1.0 B B31 1 0.00074200 0.00074200 0.82978500 1.0 B B32 1 0.50128600 0.50128600 0.16865700 1.0 B B33 1 0.00210900 0.00210900 0.16808300 1.0 O O34 1 0.26614000 0.26614000 0.57397700 1.0 O O35 1 0.75584600 0.75584600 0.57009900 1.0 O O36 1 0.26196000 0.26196000 0.23301400 1.0 O O37 1 0.75985200 0.75985200 0.23638000 1.0 O O38 1 0.81774900 0.81774900 0.39141200 1.0 O O39 1 0.31830600 0.31830600 0.38923100 1.0 O O40 1 0.81903300 0.81903300 0.72160800 1.0 O O41 1 0.32016300 0.32016300 0.72816400 1.0 O O42 1 0.08960800 0.55405700 0.04156200 1.0 O O43 1 0.55405700 0.08960800 0.04156200 1.0 O O44 1 0.92450700 0.92450700 0.86705200 1.0 O O45 1 0.42461400 0.42461400 0.87413200 1.0 O O46 1 0.92559700 0.92559700 0.20736800 1.0 O O47 1 0.42571100 0.42571100 0.20959000 1.0 O O48 1 0.17521300 0.68002000 0.55470800 1.0 O O49 1 0.68002000 0.17521300 0.55470800 1.0 O O50 1 0.74046500 0.24143900 0.40225600 1.0 O O51 1 0.24143900 0.74046500 0.40225600 1.0 O O52 1 0.01460600 0.01460600 0.07274800 1.0 O O53 1 0.50723200 0.50723200 0.07123800 1.0 O O54 1 0.51001600 0.51001600 0.73678500 1.0 O O55 1 0.01180900 0.01180900 0.73267200 1.0 O O56 1 0.56819400 0.56819400 0.89183400 1.0 O O57 1 0.06791100 0.06791100 0.88887900 1.0 O O58 1 0.56999800 0.56999800 0.22351900 1.0 O O59 1 0.06906500 0.06906500 0.22620300 1.0 O O60 1 0.34013200 0.80330100 0.54154300 1.0 O O61 1 0.80330100 0.34013200 0.54154300 1.0 O O62 1 0.67393400 0.67393400 0.37319300 1.0 O O63 1 0.17515400 0.17515400 0.36782000 1.0 O O64 1 0.67474900 0.67474900 0.70918600 1.0 O O65 1 0.17673300 0.17673300 0.70784300 1.0 O O66 1 0.92520400 0.43016700 0.05487500 1.0 O O67 1 0.43016700 0.92520400 0.05487500 1.0 O O68 1 0.49107600 0.99074000 0.90238100 1.0 O O69 1 0.99074000 0.49107600 0.90238100 1.0