# generated using pymatgen data_Mn12HO24 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.91434200 _cell_length_b 9.14116600 _cell_length_c 16.44910355 _cell_angle_alpha 58.35204711 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn12HO24 _chemical_formula_sum 'Mn24 H2 O48' _cell_volume 757.05393925 _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 Mn Mn0 1 0.87484900 0.00111900 0.50110800 1.0 Mn Mn1 1 0.87638900 0.49939500 0.50051500 1.0 Mn Mn2 1 0.37508600 0.00001800 0.49979600 1.0 Mn Mn3 1 0.37347100 0.49991200 0.50112400 1.0 Mn Mn4 1 0.87496900 0.60293400 0.15867400 1.0 Mn Mn5 1 0.87460700 0.10083600 0.15963000 1.0 Mn Mn6 1 0.37489100 0.59925100 0.15791700 1.0 Mn Mn7 1 0.37498800 0.10689100 0.15505700 1.0 Mn Mn8 1 0.88008600 0.89801900 0.84365500 1.0 Mn Mn9 1 0.87482100 0.39757800 0.84218800 1.0 Mn Mn10 1 0.37033000 0.89704300 0.84401200 1.0 Mn Mn11 1 0.37505400 0.39779200 0.84208500 1.0 Mn Mn12 1 0.62491400 0.00001800 0.99979600 1.0 Mn Mn13 1 0.62652900 0.49991200 0.00112400 1.0 Mn Mn14 1 0.12515100 0.00111900 0.00110800 1.0 Mn Mn15 1 0.12361100 0.49939500 0.00051500 1.0 Mn Mn16 1 0.62501200 0.10689100 0.65505700 1.0 Mn Mn17 1 0.62510900 0.59925100 0.65791700 1.0 Mn Mn18 1 0.12539300 0.10083600 0.65963000 1.0 Mn Mn19 1 0.12503100 0.60293400 0.65867400 1.0 Mn Mn20 1 0.62494600 0.39779200 0.34208500 1.0 Mn Mn21 1 0.62967000 0.89704300 0.34401200 1.0 Mn Mn22 1 0.12517900 0.39757800 0.34218800 1.0 Mn Mn23 1 0.11991400 0.89801900 0.34365500 1.0 H H24 1 0.37492000 0.76117700 0.26642400 1.0 H H25 1 0.62508000 0.76117700 0.76642400 1.0 O O26 1 0.87671500 0.65612800 0.93863000 1.0 O O27 1 0.87413200 0.15638100 0.93800700 1.0 O O28 1 0.37404600 0.65531200 0.93927100 1.0 O O29 1 0.37574500 0.15637100 0.93842500 1.0 O O30 1 0.87469300 0.84443900 0.06228900 1.0 O O31 1 0.87418800 0.34322500 0.06193900 1.0 O O32 1 0.37517200 0.84339700 0.06244100 1.0 O O33 1 0.37504000 0.34362800 0.06220500 1.0 O O34 1 0.12586800 0.15638100 0.43800700 1.0 O O35 1 0.12328500 0.65612800 0.43863000 1.0 O O36 1 0.62425500 0.15637100 0.43842500 1.0 O O37 1 0.62595400 0.65531200 0.43927100 1.0 O O38 1 0.62496000 0.34362800 0.56220500 1.0 O O39 1 0.62482800 0.84339700 0.56244100 1.0 O O40 1 0.12581200 0.34322500 0.56193900 1.0 O O41 1 0.12530700 0.84443900 0.56228900 1.0 O O42 1 0.12538500 0.94859500 0.89919900 1.0 O O43 1 0.12490000 0.44799900 0.89873600 1.0 O O44 1 0.62505700 0.94641700 0.89850600 1.0 O O45 1 0.62503100 0.45402300 0.89643700 1.0 O O46 1 0.12314000 0.55051000 0.10238200 1.0 O O47 1 0.12509000 0.05349900 0.10204300 1.0 O O48 1 0.62685800 0.55141300 0.10222700 1.0 O O49 1 0.62444800 0.05229600 0.10133400 1.0 O O50 1 0.87510000 0.44799900 0.39873600 1.0 O O51 1 0.87461500 0.94859500 0.39919900 1.0 O O52 1 0.37496900 0.45402300 0.39643700 1.0 O O53 1 0.37494300 0.94641700 0.39850600 1.0 O O54 1 0.87491000 0.05349900 0.60204300 1.0 O O55 1 0.87686000 0.55051000 0.60238200 1.0 O O56 1 0.37555200 0.05229600 0.60133400 1.0 O O57 1 0.37314200 0.55141300 0.60222700 1.0 O O58 1 0.12505500 0.86976500 0.77401400 1.0 O O59 1 0.12514900 0.37237700 0.77277400 1.0 O O60 1 0.62482000 0.86240200 0.77242300 1.0 O O61 1 0.62493200 0.36996000 0.77312300 1.0 O O62 1 0.12912200 0.62942200 0.22787100 1.0 O O63 1 0.12701400 0.12678000 0.22798100 1.0 O O64 1 0.62066400 0.62931600 0.22798600 1.0 O O65 1 0.62297300 0.12567700 0.22847700 1.0 O O66 1 0.87485100 0.37237700 0.27277400 1.0 O O67 1 0.87494500 0.86976500 0.27401400 1.0 O O68 1 0.37506800 0.36996000 0.27312300 1.0 O O69 1 0.37518000 0.86240200 0.27242300 1.0 O O70 1 0.87298600 0.12678000 0.72798100 1.0 O O71 1 0.87087800 0.62942200 0.72787100 1.0 O O72 1 0.37702700 0.12567700 0.72847700 1.0 O O73 1 0.37933600 0.62931600 0.72798600 1.0