# generated using pymatgen data_KMn6O12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.17152456 _cell_length_b 8.17152186 _cell_length_c 8.17151571 _cell_angle_alpha 106.15342298 _cell_angle_beta 106.15335216 _cell_angle_gamma 116.33250397 _symmetry_Int_Tables_number 1 _chemical_formula_structural KMn6O12 _chemical_formula_sum 'K2 Mn12 O24' _cell_volume 415.46661777 _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 K K0 1 0.29159104 0.29158782 0.00000312 1.0 K K1 1 0.70841095 0.70841488 0.00000363 1.0 Mn Mn2 1 0.66667742 0.84879730 0.51547994 1.0 Mn Mn3 1 0.48496249 -0.00013889 0.81758858 1.0 Mn Mn4 1 0.81772425 0.33262492 0.81758866 1.0 Mn Mn5 1 0.51502401 0.00012966 0.18240401 1.0 Mn Mn6 1 0.66740108 0.48498055 0.48510315 1.0 Mn Mn7 1 0.33331753 0.15120267 0.48451734 1.0 Mn Mn8 1 0.33259473 0.51501611 0.51489873 1.0 Mn Mn9 1 -0.00011360 0.18230472 0.51489894 1.0 Mn Mn10 1 0.15118793 0.66666892 0.81785118 1.0 Mn Mn11 1 0.18227741 0.66738009 0.18241104 1.0 Mn Mn12 1 0.84881279 0.33333358 0.18214827 1.0 Mn Mn13 1 0.00012291 0.81769883 0.48510420 1.0 O O14 1 0.66275465 0.04205269 0.70480536 1.0 O O15 1 0.32160793 0.96281721 0.95141696 1.0 O O16 1 0.65365484 0.29795517 0.95161274 1.0 O O17 1 0.70921906 0.00118735 0.37609299 1.0 O O18 1 0.62509579 0.33312771 0.62390446 1.0 O O19 1 0.29077531 -0.00119307 0.62390172 1.0 O O20 1 0.67837978 0.03716745 0.04857334 1.0 O O21 1 0.33724141 0.95794370 0.29519172 1.0 O O22 1 0.66690225 0.29081303 0.29198395 1.0 O O23 1 0.29793472 0.34636117 0.64428959 1.0 O O24 1 0.96286262 0.01141056 0.64120928 1.0 O O25 1 0.62979237 0.67834547 0.64120929 1.0 O O26 1 0.03714836 0.98858680 0.35879615 1.0 O O27 1 0.70206750 0.65363870 0.35570759 1.0 O O28 1 0.37020707 0.32165056 0.35879419 1.0 O O29 1 -0.00116073 0.37493587 0.70801993 1.0 O O30 1 0.33308479 0.70918304 0.70801982 1.0 O O31 1 0.98860219 0.62981340 0.95142408 1.0 O O32 1 0.37490063 0.66687286 0.37609190 1.0 O O33 1 0.04205632 0.33725380 0.37930663 1.0 O O34 1 0.95796464 0.66274805 0.62070866 1.0 O O35 1 0.01140861 0.37019611 0.04857417 1.0 O O36 1 0.34632970 0.70204543 0.04837799 1.0 O O37 1 0.00117424 0.62508478 0.29198768 1.0