# generated using pymatgen data_Li11Mn12(BO3)12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.85187000 _cell_length_b 8.88994591 _cell_length_c 10.43594806 _cell_angle_alpha 98.72590974 _cell_angle_beta 98.41556243 _cell_angle_gamma 107.88069363 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li11Mn12(BO3)12 _chemical_formula_sum 'Li11 Mn12 B12 O36' _cell_volume 756.09627770 _cell_formula_units_Z 1 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 0.72118000 0.73907900 0.02165500 1.0 Li Li1 1 0.97104600 0.98833000 0.27082200 1.0 Li Li2 1 0.06285600 0.34531800 0.04576000 1.0 Li Li3 1 0.56332500 0.84571500 0.54547700 1.0 Li Li4 1 0.34089700 0.04096400 0.06117900 1.0 Li Li5 1 0.59123200 0.29109800 0.30908400 1.0 Li Li6 1 0.84030300 0.54114300 0.55649800 1.0 Li Li7 1 0.47036400 0.48781900 0.77071800 1.0 Li Li8 1 0.22131500 0.23760400 0.51927900 1.0 Li Li9 1 0.81309700 0.09585500 0.79618400 1.0 Li Li10 1 0.09139700 0.79127800 0.80846900 1.0 Mn Mn11 1 0.93688100 0.92856000 0.56674100 1.0 Mn Mn12 1 0.43385800 0.43001500 0.07067000 1.0 Mn Mn13 1 0.68088000 0.67844800 0.31749100 1.0 Mn Mn14 1 0.98488000 0.35274500 0.33518300 1.0 Mn Mn15 1 0.72829900 0.10107800 0.08705400 1.0 Mn Mn16 1 0.08650200 0.71983000 0.09841900 1.0 Mn Mn17 1 0.33498700 0.96422600 0.34860100 1.0 Mn Mn18 1 0.47691600 0.84908600 0.83557800 1.0 Mn Mn19 1 0.23117200 0.59775800 0.58059500 1.0 Mn Mn20 1 0.83440500 0.47468000 0.84500700 1.0 Mn Mn21 1 0.58491500 0.22315100 0.59656000 1.0 Mn Mn22 1 0.18891600 0.17819900 0.81831500 1.0 B B23 1 0.79089800 0.45947400 0.12530800 1.0 B B24 1 0.45915600 0.79709400 0.12353800 1.0 B B25 1 0.29119200 0.95745600 0.62436200 1.0 B B26 1 0.03693700 0.70828600 0.37646300 1.0 B B27 1 0.99907300 0.99850300 0.99992100 1.0 B B28 1 0.50568400 0.50069900 0.50415400 1.0 B B29 1 0.24807500 0.24139700 0.24813800 1.0 B B30 1 0.75011200 0.75096700 0.75033000 1.0 B B31 1 0.95918200 0.29152900 0.62468300 1.0 B B32 1 0.70907400 0.04323500 0.37343400 1.0 B B33 1 0.54127500 0.20884400 0.87573400 1.0 B B34 1 0.20942900 0.54277900 0.87352000 1.0 O O35 1 0.88263000 0.96329300 0.07776400 1.0 O O36 1 0.83067700 0.57820300 0.04992900 1.0 O O37 1 0.49716400 0.91106100 0.04494400 1.0 O O38 1 0.54622300 0.69205800 0.13221400 1.0 O O39 1 0.79908800 0.94131300 0.37959300 1.0 O O40 1 0.87840400 0.35353200 0.13088000 1.0 O O41 1 0.90905500 0.69987200 0.44270300 1.0 O O42 1 0.66543400 0.44800000 0.19326200 1.0 O O43 1 0.33432000 0.79455200 0.18967300 1.0 O O44 1 0.07873900 0.82670000 0.29964200 1.0 O O45 1 0.99132300 0.40886200 0.54983500 1.0 O O46 1 0.74232400 0.16167600 0.29901300 1.0 O O47 1 0.76271700 0.87832900 0.68480800 1.0 O O48 1 0.25119500 0.35120200 0.16882300 1.0 O O49 1 0.52925000 0.63262500 0.44780300 1.0 O O50 1 0.35763500 0.15561700 0.24750000 1.0 O O51 1 0.85522400 0.66207500 0.74043000 1.0 O O52 1 0.60604800 0.40600100 0.49184400 1.0 O O53 1 0.38279900 0.85604800 0.63383000 1.0 O O54 1 0.12173700 0.60467300 0.38629400 1.0 O O55 1 0.16694000 0.94671600 0.69335800 1.0 O O56 1 0.58345700 0.02624600 0.44313700 1.0 O O57 1 0.83503500 0.27530700 0.69543300 1.0 O O58 1 0.38430500 0.45938700 0.57822700 1.0 O O59 1 0.63285400 0.71225000 0.82716200 1.0 O O60 1 0.13288700 0.20955500 0.32837400 1.0 O O61 1 0.32574800 0.07086700 0.54390400 1.0 O O62 1 0.57762100 0.32551200 0.79864800 1.0 O O63 1 0.24155300 0.65978700 0.79765700 1.0 O O64 1 0.10416000 0.90961100 0.99210400 1.0 O O65 1 0.29960800 0.44047500 0.88023500 1.0 O O66 1 0.04980900 0.18889400 0.63047300 1.0 O O67 1 0.63094500 0.10470500 0.88251200 1.0 O O68 1 0.41652300 0.19632800 0.94440400 1.0 O O69 1 0.08499500 0.52770300 0.94420200 1.0 O O70 1 0.00865100 0.12165600 0.92960800 1.0