# generated using pymatgen data_Mn6O7F5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.59940567 _cell_length_b 5.63985077 _cell_length_c 15.30761574 _cell_angle_alpha 90.01825465 _cell_angle_beta 89.97301401 _cell_angle_gamma 88.88203053 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn6O7F5 _chemical_formula_sum 'Mn12 O14 F10' _cell_volume 397.00331222 _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 0.02127100 0.16430800 0.41542600 1.0 Mn Mn1 1 0.01493400 0.81866200 0.24296000 1.0 Mn Mn2 1 0.99876500 0.15323800 0.07860900 1.0 Mn Mn3 1 0.01995100 0.16705300 0.74439400 1.0 Mn Mn4 1 0.99257600 0.84596000 0.57629600 1.0 Mn Mn5 1 0.05044600 0.85409100 0.91236300 1.0 Mn Mn6 1 0.49109400 0.34989900 0.58640900 1.0 Mn Mn7 1 0.48806500 0.35111800 0.92320300 1.0 Mn Mn8 1 0.52093800 0.37907200 0.25731900 1.0 Mn Mn9 1 0.49490500 0.65229600 0.08236100 1.0 Mn Mn10 1 0.49312900 0.63720300 0.42378300 1.0 Mn Mn11 1 0.49574500 0.63457000 0.75491800 1.0 O O12 1 0.20914400 0.11100400 0.63455900 1.0 O O13 1 0.22976500 0.11195000 0.97046600 1.0 O O14 1 0.21393500 0.88449300 0.13307300 1.0 O O15 1 0.22323700 0.88548200 0.46999200 1.0 O O16 1 0.23869000 0.88697700 0.80457900 1.0 O O17 1 0.28629300 0.60459000 0.31401800 1.0 O O18 1 0.27499000 0.39398500 0.47777400 1.0 O O19 1 0.28846300 0.39269700 0.81439800 1.0 O O20 1 0.27759300 0.61653600 0.97412200 1.0 O O21 1 0.71295100 0.37684900 0.02975000 1.0 O O22 1 0.71789300 0.61946000 0.19199700 1.0 O O23 1 0.73758000 0.39308200 0.36372900 1.0 O O24 1 0.71414500 0.61750600 0.52947600 1.0 O O25 1 0.71672100 0.37956200 0.69361000 1.0 F F26 1 0.24819800 0.10912300 0.29896500 1.0 F F27 1 0.25438600 0.38085200 0.15366700 1.0 F F28 1 0.23504500 0.61094400 0.64426100 1.0 F F29 1 0.76720700 0.61942300 0.86568500 1.0 F F30 1 0.75870000 0.13149000 0.19500000 1.0 F F31 1 0.74656000 0.11233300 0.52256100 1.0 F F32 1 0.76566600 0.88314700 0.35912200 1.0 F F33 1 0.77627800 0.87909000 0.01285200 1.0 F F34 1 0.77534500 0.12297900 0.85739400 1.0 F F35 1 0.74939700 0.86897300 0.69090500 1.0