# generated using pymatgen data_Mn6O5F7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.71037535 _cell_length_b 5.72791123 _cell_length_c 15.65240542 _cell_angle_alpha 89.94988681 _cell_angle_beta 89.48909951 _cell_angle_gamma 88.77880266 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn6O5F7 _chemical_formula_sum 'Mn12 O10 F14' _cell_volume 422.19867051 _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 0.00245500 0.15631800 0.40881800 1.0 Mn Mn1 1 0.98336100 0.84325100 0.24492000 1.0 Mn Mn2 1 0.01220900 0.16789600 0.07301600 1.0 Mn Mn3 1 0.02305300 0.14521500 0.74959400 1.0 Mn Mn4 1 0.04817300 0.84770700 0.58007600 1.0 Mn Mn5 1 0.04844200 0.84181600 0.91671300 1.0 Mn Mn6 1 0.48074400 0.34198600 0.59012800 1.0 Mn Mn7 1 0.49565500 0.35227200 0.92704700 1.0 Mn Mn8 1 0.50093600 0.34185000 0.25816400 1.0 Mn Mn9 1 0.52396400 0.63549900 0.08580400 1.0 Mn Mn10 1 0.49088500 0.65560700 0.41877700 1.0 Mn Mn11 1 0.48598100 0.66863400 0.74839300 1.0 O O12 1 0.20432800 0.11056800 0.30029400 1.0 O O13 1 0.23019900 0.11318200 0.64088100 1.0 O O14 1 0.22972900 0.11853800 0.96880000 1.0 O O15 1 0.22728500 0.89260200 0.46835600 1.0 O O16 1 0.22232600 0.88663800 0.80418000 1.0 O O17 1 0.28181900 0.60843400 0.64359900 1.0 O O18 1 0.29772000 0.60559600 0.98015500 1.0 O O19 1 0.72702500 0.37743200 0.02661800 1.0 O O20 1 0.71351000 0.61010400 0.19618700 1.0 O O21 1 0.70512300 0.38754900 0.36422400 1.0 F F22 1 0.24153900 0.88457500 0.13054800 1.0 F F23 1 0.26744100 0.37370200 0.14985500 1.0 F F24 1 0.22941600 0.61708200 0.30945200 1.0 F F25 1 0.25256400 0.40417500 0.47515400 1.0 F F26 1 0.27384300 0.38857500 0.81762300 1.0 F F27 1 0.73827500 0.60705000 0.53299300 1.0 F F28 1 0.73333300 0.63020400 0.85838100 1.0 F F29 1 0.74404700 0.38603600 0.70409000 1.0 F F30 1 0.76729700 0.10486400 0.18098100 1.0 F F31 1 0.76501600 0.12239900 0.52462300 1.0 F F32 1 0.73286600 0.88554700 0.35781900 1.0 F F33 1 0.78727900 0.87381000 0.02050400 1.0 F F34 1 0.75843600 0.13143900 0.85901900 1.0 F F35 1 0.77372500 0.88184700 0.68421400 1.0