# generated using pymatgen data_Mn6O5F7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.58793669 _cell_length_b 4.97773920 _cell_length_c 15.31371787 _cell_angle_alpha 94.91595753 _cell_angle_beta 92.03992928 _cell_angle_gamma 86.57298649 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn6O5F7 _chemical_formula_sum 'Mn12 O10 F14' _cell_volume 423.43081499 _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 0.92156900 0.01187800 0.99817800 1.0 Mn Mn1 1 0.12832300 0.51390800 0.16115200 1.0 Mn Mn2 1 0.89788500 0.00861100 0.32751800 1.0 Mn Mn3 1 0.10430900 0.51183600 0.50019800 1.0 Mn Mn4 1 0.97556400 0.97228500 0.66955600 1.0 Mn Mn5 1 0.09457200 0.50038500 0.81896600 1.0 Mn Mn6 1 0.45436900 0.97495400 0.16937400 1.0 Mn Mn7 1 0.43601600 0.48291700 0.00675500 1.0 Mn Mn8 1 0.43155300 0.50260500 0.66967600 1.0 Mn Mn9 1 0.52524900 0.00609000 0.50828300 1.0 Mn Mn10 1 0.42255200 0.46884400 0.33588000 1.0 Mn Mn11 1 0.50106500 0.00028200 0.83290100 1.0 O O12 1 0.20241600 0.75522600 0.07800100 1.0 O O13 1 0.23705000 0.76364800 0.74911400 1.0 O O14 1 0.36144600 0.27916100 0.10425600 1.0 O O15 1 0.35783800 0.68416800 0.23561700 1.0 O O16 1 0.32339600 0.72698800 0.57027500 1.0 O O17 1 0.34693300 0.27832200 0.76585100 1.0 O O18 1 0.35453000 0.28264600 0.43996100 1.0 O O19 1 0.62356300 0.21082200 0.94062300 1.0 O O20 1 0.60824200 0.21659900 0.60861700 1.0 O O21 1 0.59858600 0.17867800 0.27050500 1.0 F F22 1 0.11399100 0.25630500 0.25410600 1.0 F F23 1 0.10466200 0.28546500 0.60659300 1.0 F F24 1 0.14899500 0.74469800 0.39030200 1.0 F F25 1 0.13874800 0.27227400 0.93049200 1.0 F F26 1 0.37555800 0.71985300 0.91143000 1.0 F F27 1 0.66927900 0.80097200 0.06318800 1.0 F F28 1 0.62840000 0.78898500 0.39523800 1.0 F F29 1 0.71933000 0.72674500 0.72258500 1.0 F F30 1 0.86626500 0.28787500 0.43469000 1.0 F F31 1 0.88492500 0.31865600 0.09697400 1.0 F F32 1 0.85579900 0.21908400 0.77938700 1.0 F F33 1 0.84008100 0.76600000 0.54772000 1.0 F F34 1 0.86928000 0.74852900 0.88637500 1.0 F F35 1 0.87766100 0.73370000 0.21966100 1.0