# generated using pymatgen data_Li5Mn6(BO3)6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.73864500 _cell_length_b 8.24527400 _cell_length_c 8.27892424 _cell_angle_alpha 60.20539733 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li5Mn6(BO3)6 _chemical_formula_sum 'Li10 Mn12 B12 O36' _cell_volume 754.61949324 _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 0.50000000 0.02066500 0.69947000 1.0 Li Li1 1 0.74790500 0.01710000 0.70217400 1.0 Li Li2 1 0.25209500 0.01710000 0.70217400 1.0 Li Li3 1 0.00000000 0.70165900 0.28144600 1.0 Li Li4 1 0.75126200 0.70165000 0.28096000 1.0 Li Li5 1 0.24873800 0.70165000 0.28096000 1.0 Li Li6 1 0.50000000 0.28090600 0.01655400 1.0 Li Li7 1 0.75074200 0.28137200 0.01640100 1.0 Li Li8 1 0.00000000 0.27894200 0.02105700 1.0 Li Li9 1 0.24925800 0.28137200 0.01640100 1.0 Mn Mn10 1 0.37582800 0.63807400 0.99762000 1.0 Mn Mn11 1 0.62417200 0.63807400 0.99762000 1.0 Mn Mn12 1 0.87640700 0.65061300 0.98098300 1.0 Mn Mn13 1 0.12359300 0.65061300 0.98098300 1.0 Mn Mn14 1 0.37665100 0.98110200 0.36716300 1.0 Mn Mn15 1 0.62334900 0.98110200 0.36716300 1.0 Mn Mn16 1 0.87607700 0.98702100 0.38268000 1.0 Mn Mn17 1 0.12392300 0.98702100 0.38268000 1.0 Mn Mn18 1 0.87618300 0.36165100 0.63905500 1.0 Mn Mn19 1 0.37616200 0.38162600 0.63054600 1.0 Mn Mn20 1 0.62383800 0.38162600 0.63054600 1.0 Mn Mn21 1 0.12381700 0.36165100 0.63905500 1.0 B B22 1 0.87154400 0.99924100 0.00668600 1.0 B B23 1 0.37147900 0.00645200 0.99307200 1.0 B B24 1 0.62852100 0.00645200 0.99307200 1.0 B B25 1 0.12845600 0.99924100 0.00668600 1.0 B B26 1 0.24994500 0.33320200 0.33121700 1.0 B B27 1 0.00000000 0.33712100 0.32484600 1.0 B B28 1 0.75005500 0.33320200 0.33121700 1.0 B B29 1 0.50000000 0.32570500 0.33774700 1.0 B B30 1 0.74994400 0.66595800 0.66675200 1.0 B B31 1 0.50000000 0.66725100 0.67338000 1.0 B B32 1 0.00000000 0.65945800 0.66842800 1.0 B B33 1 0.25005600 0.66595800 0.66675200 1.0 O O34 1 0.62216100 0.09056800 0.79911300 1.0 O O35 1 0.13956100 0.08147700 0.81725600 1.0 O O36 1 0.37783900 0.09056800 0.79911300 1.0 O O37 1 0.86043900 0.08147700 0.81725600 1.0 O O38 1 0.50000000 0.74422000 0.79055600 1.0 O O39 1 0.00000000 0.73740800 0.78100800 1.0 O O40 1 0.74967000 0.74651100 0.77945600 1.0 O O41 1 0.25033000 0.74651100 0.77945600 1.0 O O42 1 0.50000000 0.39859000 0.45680200 1.0 O O43 1 0.25050900 0.41849500 0.44022400 1.0 O O44 1 0.74949100 0.41849500 0.44022400 1.0 O O45 1 0.00000000 0.41621900 0.43859700 1.0 O O46 1 0.87718800 0.80463900 0.11820400 1.0 O O47 1 0.36029600 0.81617100 0.10078800 1.0 O O48 1 0.63970400 0.81617100 0.10078800 1.0 O O49 1 0.12281200 0.80463900 0.11820400 1.0 O O50 1 0.25094000 0.13924300 0.41668100 1.0 O O51 1 0.00000000 0.14576200 0.39715800 1.0 O O52 1 0.74906000 0.13924300 0.41668100 1.0 O O53 1 0.50000000 0.13284100 0.41526300 1.0 O O54 1 0.50000000 0.47280300 0.74999000 1.0 O O55 1 0.74750900 0.47270800 0.74441600 1.0 O O56 1 0.25249100 0.47270800 0.74441600 1.0 O O57 1 0.00000000 0.46513800 0.74488000 1.0 O O58 1 0.50000000 0.77986600 0.48315500 1.0 O O59 1 0.75269900 0.78009500 0.47308800 1.0 O O60 1 0.00000000 0.77666900 0.47445000 1.0 O O61 1 0.24730100 0.78009500 0.47308800 1.0 O O62 1 0.50000000 0.43892000 0.14602800 1.0 O O63 1 0.00000000 0.45188000 0.13275000 1.0 O O64 1 0.24836000 0.44234700 0.13865300 1.0 O O65 1 0.75164000 0.44234700 0.13865300 1.0 O O66 1 0.37453000 0.11826400 0.07679500 1.0 O O67 1 0.62547000 0.11826400 0.07679500 1.0 O O68 1 0.87518600 0.11022200 0.09138800 1.0 O O69 1 0.12481400 0.11022200 0.09138800 1.0