# generated using pymatgen data_Mn6O7F5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.62265650 _cell_length_b 5.68521997 _cell_length_c 15.29817092 _cell_angle_alpha 90.05685627 _cell_angle_beta 90.26115192 _cell_angle_gamma 87.77698803 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn6O7F5 _chemical_formula_sum 'Mn12 O14 F10' _cell_volume 401.74158026 _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 0.01668200 0.15301500 0.40736800 1.0 Mn Mn1 1 0.01873900 0.83762900 0.24261900 1.0 Mn Mn2 1 0.99575000 0.15344500 0.07900200 1.0 Mn Mn3 1 0.01957100 0.16709700 0.75155100 1.0 Mn Mn4 1 0.00928600 0.82566000 0.57550400 1.0 Mn Mn5 1 0.04219700 0.84794100 0.91493300 1.0 Mn Mn6 1 0.51959700 0.37569600 0.58881600 1.0 Mn Mn7 1 0.47877600 0.35082800 0.92509800 1.0 Mn Mn8 1 0.49872500 0.36418600 0.25886000 1.0 Mn Mn9 1 0.50028500 0.64860500 0.08657500 1.0 Mn Mn10 1 0.49771100 0.65481000 0.41639100 1.0 Mn Mn11 1 0.48407400 0.63708300 0.75277500 1.0 O O12 1 0.23436300 0.11508600 0.30083500 1.0 O O13 1 0.21973700 0.11249000 0.97210300 1.0 O O14 1 0.21305700 0.88117800 0.13504500 1.0 O O15 1 0.22117500 0.88674500 0.46561900 1.0 O O16 1 0.23488800 0.88273400 0.80754400 1.0 O O17 1 0.27266600 0.60510600 0.31064800 1.0 O O18 1 0.27790300 0.60813400 0.64494400 1.0 O O19 1 0.28355700 0.39435000 0.81296600 1.0 O O20 1 0.27237700 0.61477600 0.97703300 1.0 O O21 1 0.71393900 0.37797100 0.02911000 1.0 O O22 1 0.71965000 0.60931900 0.19488500 1.0 O O23 1 0.71960700 0.38000900 0.36236600 1.0 O O24 1 0.71704100 0.62027100 0.52580400 1.0 O O25 1 0.72946100 0.39455100 0.69522500 1.0 F F26 1 0.24544000 0.11153100 0.63369900 1.0 F F27 1 0.25737100 0.37948100 0.15159400 1.0 F F28 1 0.26015700 0.38046400 0.48567300 1.0 F F29 1 0.74446500 0.62237000 0.85912000 1.0 F F30 1 0.74800500 0.12484600 0.18967300 1.0 F F31 1 0.76657800 0.13113400 0.52538600 1.0 F F32 1 0.77505300 0.87878500 0.34761200 1.0 F F33 1 0.77144200 0.87166800 0.01515600 1.0 F F34 1 0.75598800 0.11571700 0.86505600 1.0 F F35 1 0.76468600 0.88528800 0.69341600 1.0