# generated using pymatgen data_Mn6O5F7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.70650239 _cell_length_b 5.73417800 _cell_length_c 15.59472069 _cell_angle_alpha 90.00000000 _cell_angle_beta 88.80810813 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn6O5F7 _chemical_formula_sum 'Mn12 O10 F14' _cell_volume 420.77805200 _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 0.05634900 0.16011000 0.41369100 1.0 Mn Mn1 1 0.99247800 0.84290100 0.24523300 1.0 Mn Mn2 1 0.02267300 0.13776800 0.07891600 1.0 Mn Mn3 1 0.99247800 0.15709900 0.74523300 1.0 Mn Mn4 1 0.02267300 0.86223200 0.57891600 1.0 Mn Mn5 1 0.05634900 0.83989000 0.91369100 1.0 Mn Mn6 1 0.49246400 0.33426200 0.58820300 1.0 Mn Mn7 1 0.48597300 0.34735800 0.92474300 1.0 Mn Mn8 1 0.49508100 0.34856300 0.25105800 1.0 Mn Mn9 1 0.49246400 0.66573800 0.08820300 1.0 Mn Mn10 1 0.48597300 0.65264200 0.42474300 1.0 Mn Mn11 1 0.49508100 0.65143700 0.75105800 1.0 O O12 1 0.22557000 0.10922400 0.30192100 1.0 O O13 1 0.21332000 0.11074900 0.63661200 1.0 O O14 1 0.23271600 0.10903200 0.97224700 1.0 O O15 1 0.21332000 0.88925100 0.13661200 1.0 O O16 1 0.23271600 0.89096800 0.47224700 1.0 O O17 1 0.22557000 0.89077600 0.80192100 1.0 O O18 1 0.29638100 0.39080100 0.47995200 1.0 O O19 1 0.29638100 0.60919900 0.97995200 1.0 O O20 1 0.70200600 0.62315100 0.19552100 1.0 O O21 1 0.70200600 0.37684900 0.69552100 1.0 F F22 1 0.25264100 0.38915300 0.14305600 1.0 F F23 1 0.24888800 0.59989800 0.31189900 1.0 F F24 1 0.25264100 0.61084700 0.64305600 1.0 F F25 1 0.24888800 0.40010200 0.81189900 1.0 F F26 1 0.75071200 0.37688000 0.03426800 1.0 F F27 1 0.74500400 0.38952200 0.36365100 1.0 F F28 1 0.75071200 0.62312000 0.53426800 1.0 F F29 1 0.74500400 0.61047800 0.86365100 1.0 F F30 1 0.75566800 0.12346400 0.18322400 1.0 F F31 1 0.77558700 0.12993800 0.51671800 1.0 F F32 1 0.75648700 0.87705200 0.35908900 1.0 F F33 1 0.77558700 0.87006200 0.01671800 1.0 F F34 1 0.75648700 0.12294800 0.85908900 1.0 F F35 1 0.75566800 0.87653600 0.68322400 1.0