# generated using pymatgen data_Mn6O5F7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.72404604 _cell_length_b 5.73637296 _cell_length_c 15.64523446 _cell_angle_alpha 90.76267728 _cell_angle_beta 90.05802269 _cell_angle_gamma 86.95766173 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn6O5F7 _chemical_formula_sum 'Mn12 O10 F14' _cell_volume 423.33341367 _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 0.02681600 0.16500900 0.41737500 1.0 Mn Mn1 1 0.03753900 0.83110100 0.24561900 1.0 Mn Mn2 1 0.00182900 0.14756400 0.07745800 1.0 Mn Mn3 1 0.01721000 0.17958800 0.75249800 1.0 Mn Mn4 1 0.00614400 0.83732800 0.57599200 1.0 Mn Mn5 1 0.01893800 0.85812300 0.90997000 1.0 Mn Mn6 1 0.49898400 0.34804000 0.58676600 1.0 Mn Mn7 1 0.47513500 0.32941000 0.92180500 1.0 Mn Mn8 1 0.52206000 0.35737500 0.26028800 1.0 Mn Mn9 1 0.49466200 0.64811600 0.08190700 1.0 Mn Mn10 1 0.47553800 0.63842700 0.41568500 1.0 Mn Mn11 1 0.49492600 0.64286100 0.75681100 1.0 O O12 1 0.20837700 0.10406200 0.96911100 1.0 O O13 1 0.23027900 0.88257400 0.13149300 1.0 O O14 1 0.23008900 0.88535300 0.46709800 1.0 O O15 1 0.22529700 0.89212000 0.80497200 1.0 O O16 1 0.29099900 0.60742500 0.30872900 1.0 O O17 1 0.27672500 0.38954700 0.47901300 1.0 O O18 1 0.28070900 0.40130500 0.81606900 1.0 O O19 1 0.70114800 0.36983300 0.02848600 1.0 O O20 1 0.74005500 0.39383900 0.36414300 1.0 O O21 1 0.71921900 0.38675000 0.69515800 1.0 F F22 1 0.24498200 0.11081200 0.30210000 1.0 F F23 1 0.22629400 0.11191600 0.63786100 1.0 F F24 1 0.27351500 0.38587400 0.15238700 1.0 F F25 1 0.25337000 0.60512800 0.64302500 1.0 F F26 1 0.24668000 0.60366400 0.97958400 1.0 F F27 1 0.73835800 0.62359900 0.18672500 1.0 F F28 1 0.71158200 0.62427600 0.52409700 1.0 F F29 1 0.75332600 0.62680700 0.86770300 1.0 F F30 1 0.77931300 0.12817400 0.19307300 1.0 F F31 1 0.76351700 0.12141400 0.52772600 1.0 F F32 1 0.77786200 0.89253600 0.35588400 1.0 F F33 1 0.76045500 0.87065500 0.01473500 1.0 F F34 1 0.74664500 0.12572200 0.85641300 1.0 F F35 1 0.75142700 0.87367600 0.69223600 1.0