# generated using pymatgen data_Mn6O5F7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.73795402 _cell_length_b 5.75561950 _cell_length_c 15.57763954 _cell_angle_alpha 90.44714730 _cell_angle_beta 89.34591462 _cell_angle_gamma 93.24870814 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn6O5F7 _chemical_formula_sum 'Mn12 O10 F14' _cell_volume 424.07884746 _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 0.04293100 0.15509600 0.41393200 1.0 Mn Mn1 1 0.97813200 0.84590800 0.24881100 1.0 Mn Mn2 1 0.02889200 0.16543400 0.07966900 1.0 Mn Mn3 1 0.99515300 0.18874400 0.74613200 1.0 Mn Mn4 1 0.02096300 0.86314800 0.58131000 1.0 Mn Mn5 1 0.05657200 0.83642500 0.92092200 1.0 Mn Mn6 1 0.48754700 0.33677200 0.58392800 1.0 Mn Mn7 1 0.47739300 0.35504000 0.91854200 1.0 Mn Mn8 1 0.47805700 0.35077000 0.24722900 1.0 Mn Mn9 1 0.50170700 0.63839400 0.08847200 1.0 Mn Mn10 1 0.46336600 0.65646100 0.42353400 1.0 Mn Mn11 1 0.50433800 0.62368300 0.74909000 1.0 O O12 1 0.21516900 0.11512500 0.30314100 1.0 O O13 1 0.21391100 0.12121500 0.63700300 1.0 O O14 1 0.23819800 0.12085700 0.97418900 1.0 O O15 1 0.22353700 0.88572100 0.47360600 1.0 O O16 1 0.27608800 0.38152400 0.13907300 1.0 O O17 1 0.27934900 0.38725200 0.47669200 1.0 O O18 1 0.28286700 0.38683200 0.81362000 1.0 O O19 1 0.30402400 0.60863800 0.97828300 1.0 O O20 1 0.70698800 0.61407500 0.19504000 1.0 O O21 1 0.69693100 0.38357800 0.69087200 1.0 F F22 1 0.23044700 0.88462700 0.14054400 1.0 F F23 1 0.26069200 0.86855100 0.80043500 1.0 F F24 1 0.23387000 0.61452100 0.30899000 1.0 F F25 1 0.25054600 0.61528600 0.64040500 1.0 F F26 1 0.73880500 0.36917300 0.01888700 1.0 F F27 1 0.70811000 0.39597900 0.35723800 1.0 F F28 1 0.73814200 0.62134100 0.53367800 1.0 F F29 1 0.76179600 0.60679300 0.86569100 1.0 F F30 1 0.77497700 0.12015100 0.18478900 1.0 F F31 1 0.77473000 0.13028600 0.51606300 1.0 F F32 1 0.74159700 0.88773400 0.36349200 1.0 F F33 1 0.77816900 0.87978600 0.03383700 1.0 F F34 1 0.76967700 0.11252900 0.86140400 1.0 F F35 1 0.76632700 0.87255500 0.69145900 1.0