# generated using pymatgen data_Mn19Fe17O48 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.14860556 _cell_length_b 6.14860556 _cell_length_c 30.07716380 _cell_angle_alpha 89.83462017 _cell_angle_beta 89.83462017 _cell_angle_gamma 59.84395885 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn19Fe17O48 _chemical_formula_sum 'Mn19 Fe17 O48' _cell_volume 983.18070689 _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 Mn Mn0 1 0.83399400 0.83399400 0.22757600 1.0 Mn Mn1 1 0.66884600 0.66884600 0.33280600 1.0 Mn Mn2 1 0.49919200 0.49919200 0.24915700 1.0 Mn Mn3 1 0.50088200 0.50088200 0.43697700 1.0 Mn Mn4 1 0.16551000 0.16551000 0.39582800 1.0 Mn Mn5 1 0.83360600 0.83360600 0.41678100 1.0 Mn Mn6 1 0.83449000 0.83449000 0.60417200 1.0 Mn Mn7 1 0.33115400 0.33115400 0.66719400 1.0 Mn Mn8 1 0.49911800 0.49911800 0.56302300 1.0 Mn Mn9 1 0.16600600 0.16600600 0.77242400 1.0 Mn Mn10 1 0.16639400 0.16639400 0.58321900 1.0 Mn Mn11 1 0.66660700 0.66660700 0.83394900 1.0 Mn Mn12 1 0.49884900 0.49884900 0.93841900 1.0 Mn Mn13 1 0.50080800 0.50080800 0.75084300 1.0 Mn Mn14 1 0.50115100 0.50115100 0.06158100 1.0 Mn Mn15 1 0.00000000 0.00000000 0.00000000 1.0 Mn Mn16 1 0.16732600 0.16732600 0.89428800 1.0 Mn Mn17 1 0.83267400 0.83267400 0.10571200 1.0 Mn Mn18 1 0.33339300 0.33339300 0.16605100 1.0 Fe Fe19 1 0.16428700 0.16428700 0.27184400 1.0 Fe Fe20 1 0.66530600 0.16368800 0.33355000 1.0 Fe Fe21 1 0.00000000 0.00000000 0.50000000 1.0 Fe Fe22 1 0.16368800 0.66530600 0.33355000 1.0 Fe Fe23 1 0.00000000 0.50000000 0.50000000 1.0 Fe Fe24 1 0.50000000 0.00000000 0.50000000 1.0 Fe Fe25 1 0.33469400 0.83631200 0.66645000 1.0 Fe Fe26 1 0.83631200 0.33469400 0.66645000 1.0 Fe Fe27 1 0.66575700 0.17038500 0.83326300 1.0 Fe Fe28 1 0.17038500 0.66575700 0.83326300 1.0 Fe Fe29 1 0.83328000 0.83328000 0.91651100 1.0 Fe Fe30 1 0.00000000 0.50000000 0.00000000 1.0 Fe Fe31 1 0.83571300 0.83571300 0.72815600 1.0 Fe Fe32 1 0.50000000 0.00000000 0.00000000 1.0 Fe Fe33 1 0.16672000 0.16672000 0.08348900 1.0 Fe Fe34 1 0.33424300 0.82961500 0.16673700 1.0 Fe Fe35 1 0.82961500 0.33424300 0.16673700 1.0 O O36 1 0.82585400 0.32230000 0.29445400 1.0 O O37 1 0.50306500 0.50306500 0.36653400 1.0 O O38 1 0.32230000 0.82585400 0.29445400 1.0 O O39 1 0.33864900 0.33864900 0.29412700 1.0 O O40 1 0.13915500 0.67980700 0.46282300 1.0 O O41 1 0.97691600 0.97691600 0.37518100 1.0 O O42 1 0.83184300 0.83184300 0.29776600 1.0 O O43 1 0.99719000 0.52898700 0.37263300 1.0 O O44 1 0.83141500 0.83141500 0.53494300 1.0 O O45 1 0.67980700 0.13915500 0.46282300 1.0 O O46 1 0.68872500 0.68872500 0.45801600 1.0 O O47 1 0.52898700 0.99719000 0.37263300 1.0 O O48 1 0.47101300 0.00281000 0.62736700 1.0 O O49 1 0.31127500 0.31127500 0.54198400 1.0 O O50 1 0.32019300 0.86084500 0.53717700 1.0 O O51 1 0.16858500 0.16858500 0.46505700 1.0 O O52 1 0.00281000 0.47101300 0.62736700 1.0 O O53 1 0.16815700 0.16815700 0.70223400 1.0 O O54 1 0.86084500 0.32019300 0.53717700 1.0 O O55 1 0.02308400 0.02308400 0.62481900 1.0 O O56 1 0.80699900 0.35546200 0.79824500 1.0 O O57 1 0.66135100 0.66135100 0.70587300 1.0 O O58 1 0.67770000 0.17414600 0.70554600 1.0 O O59 1 0.49693500 0.49693500 0.63346600 1.0 O O60 1 0.35546200 0.80699900 0.79824500 1.0 O O61 1 0.48572800 0.48572800 0.87025700 1.0 O O62 1 0.34815900 0.34815900 0.79524500 1.0 O O63 1 0.17414600 0.67770000 0.70554600 1.0 O O64 1 0.12856800 0.69338700 0.96167900 1.0 O O65 1 0.97979600 0.97979600 0.87292800 1.0 O O66 1 0.84688200 0.84688200 0.79224700 1.0 O O67 1 0.97411700 0.54062500 0.87130500 1.0 O O68 1 0.81887000 0.81887000 0.03694900 1.0 O O69 1 0.69338700 0.12856800 0.96167900 1.0 O O70 1 0.68532800 0.68532800 0.95963900 1.0 O O71 1 0.54062500 0.97411700 0.87130500 1.0 O O72 1 0.45937500 0.02588300 0.12869500 1.0 O O73 1 0.31467200 0.31467200 0.04036100 1.0 O O74 1 0.18113000 0.18113000 0.96305100 1.0 O O75 1 0.15311800 0.15311800 0.20775300 1.0 O O76 1 0.30661300 0.87143200 0.03832100 1.0 O O77 1 0.02588300 0.45937500 0.12869500 1.0 O O78 1 0.02020400 0.02020400 0.12707200 1.0 O O79 1 0.87143200 0.30661300 0.03832100 1.0 O O80 1 0.65184100 0.65184100 0.20475500 1.0 O O81 1 0.64453800 0.19300100 0.20175500 1.0 O O82 1 0.51427200 0.51427200 0.12974300 1.0 O O83 1 0.19300100 0.64453800 0.20175500 1.0