# generated using pymatgen data_CaMn12O24 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.89170100 _cell_length_b 9.74982500 _cell_length_c 16.89462201 _cell_angle_alpha 55.47814299 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaMn12O24 _chemical_formula_sum 'Ca2 Mn24 O48' _cell_volume 799.58714502 _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 Ca Ca0 1 0.62236100 0.27295000 0.73862200 1.0 Ca Ca1 1 0.37763900 0.27295000 0.23862200 1.0 Mn Mn2 1 0.37258200 0.01322600 0.49145400 1.0 Mn Mn3 1 0.37447400 0.48653100 0.51102800 1.0 Mn Mn4 1 0.87638800 0.01913200 0.48761900 1.0 Mn Mn5 1 0.87488400 0.48410500 0.51208500 1.0 Mn Mn6 1 0.37144200 0.88223700 0.85014700 1.0 Mn Mn7 1 0.37170000 0.43553000 0.84334800 1.0 Mn Mn8 1 0.87896100 0.88164400 0.84985000 1.0 Mn Mn9 1 0.87700100 0.43529800 0.84363000 1.0 Mn Mn10 1 0.37419100 0.62615700 0.15386600 1.0 Mn Mn11 1 0.37460300 0.05880500 0.15810300 1.0 Mn Mn12 1 0.87581700 0.61167800 0.15261400 1.0 Mn Mn13 1 0.87415600 0.06992500 0.16000200 1.0 Mn Mn14 1 0.62741800 0.01322600 0.99145400 1.0 Mn Mn15 1 0.62552600 0.48653100 0.01102800 1.0 Mn Mn16 1 0.12361200 0.01913200 0.98761900 1.0 Mn Mn17 1 0.12511600 0.48410500 0.01208500 1.0 Mn Mn18 1 0.62830000 0.43553000 0.34334800 1.0 Mn Mn19 1 0.62855800 0.88223700 0.35014700 1.0 Mn Mn20 1 0.12299900 0.43529800 0.34363000 1.0 Mn Mn21 1 0.12103900 0.88164400 0.34985000 1.0 Mn Mn22 1 0.62539700 0.05880500 0.65810300 1.0 Mn Mn23 1 0.62580900 0.62615700 0.65386600 1.0 Mn Mn24 1 0.12584400 0.06992500 0.66000200 1.0 Mn Mn25 1 0.12418300 0.61167800 0.65261400 1.0 O O26 1 0.37548200 0.51415300 0.07757500 1.0 O O27 1 0.37537100 0.04613900 0.05159100 1.0 O O28 1 0.87440400 0.51716600 0.07490400 1.0 O O29 1 0.87405000 0.05069700 0.05179600 1.0 O O30 1 0.37876700 0.98675500 0.92432700 1.0 O O31 1 0.37541600 0.45353100 0.94989300 1.0 O O32 1 0.87126100 0.98758900 0.92408000 1.0 O O33 1 0.87399600 0.44920000 0.95168100 1.0 O O34 1 0.12595000 0.05069700 0.55179600 1.0 O O35 1 0.12559600 0.51716600 0.57490400 1.0 O O36 1 0.62462900 0.04613900 0.55159100 1.0 O O37 1 0.62451800 0.51415300 0.57757500 1.0 O O38 1 0.62458400 0.45353100 0.44989300 1.0 O O39 1 0.62123300 0.98675500 0.42432700 1.0 O O40 1 0.12600400 0.44920000 0.45168100 1.0 O O41 1 0.12873900 0.98758900 0.42408000 1.0 O O42 1 0.12130800 0.76633200 0.09267600 1.0 O O43 1 0.13264200 0.22420300 0.11791800 1.0 O O44 1 0.62836700 0.76822700 0.09258100 1.0 O O45 1 0.61620700 0.22556500 0.11770400 1.0 O O46 1 0.12533300 0.73256100 0.91035000 1.0 O O47 1 0.12471300 0.28047100 0.88988300 1.0 O O48 1 0.62520000 0.72978900 0.91073500 1.0 O O49 1 0.62447900 0.27508200 0.88481100 1.0 O O50 1 0.38379300 0.22556500 0.61770400 1.0 O O51 1 0.37163300 0.76822700 0.59258100 1.0 O O52 1 0.86735800 0.22420300 0.61791800 1.0 O O53 1 0.87869200 0.76633200 0.59267600 1.0 O O54 1 0.37552100 0.27508200 0.38481100 1.0 O O55 1 0.37480000 0.72978900 0.41073500 1.0 O O56 1 0.87528700 0.28047100 0.38988300 1.0 O O57 1 0.87466700 0.73256100 0.41035000 1.0 O O58 1 0.12702600 0.45976300 0.22161600 1.0 O O59 1 0.11724400 0.90458900 0.22324700 1.0 O O60 1 0.62386100 0.46007800 0.22177500 1.0 O O61 1 0.63179000 0.90477700 0.22338900 1.0 O O62 1 0.12476900 0.04300600 0.78184600 1.0 O O63 1 0.12358400 0.59489000 0.77811500 1.0 O O64 1 0.62545300 0.02392400 0.78236400 1.0 O O65 1 0.62484200 0.59769200 0.77841200 1.0 O O66 1 0.36821000 0.90477700 0.72338900 1.0 O O67 1 0.37613900 0.46007800 0.72177500 1.0 O O68 1 0.88275600 0.90458900 0.72324700 1.0 O O69 1 0.87297400 0.45976300 0.72161600 1.0 O O70 1 0.37515800 0.59769200 0.27841200 1.0 O O71 1 0.37454700 0.02392400 0.28236400 1.0 O O72 1 0.87641600 0.59489000 0.27811500 1.0 O O73 1 0.87523100 0.04300600 0.28184600 1.0