# generated using pymatgen data_Mn6O5F7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.73984200 _cell_length_b 5.73160733 _cell_length_c 15.58641727 _cell_angle_alpha 89.92590802 _cell_angle_beta 89.91214340 _cell_angle_gamma 89.83304890 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn6O5F7 _chemical_formula_sum 'Mn12 O10 F14' _cell_volume 423.43219736 _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 0.96335400 0.16557500 0.58086600 1.0 Mn Mn1 1 0.99540800 0.81440100 0.74830600 1.0 Mn Mn2 1 0.95671600 0.16495800 0.91709600 1.0 Mn Mn3 1 0.02420600 0.15487100 0.25529800 1.0 Mn Mn4 1 0.99609700 0.86425700 0.42147800 1.0 Mn Mn5 1 0.94531200 0.83758400 0.08472100 1.0 Mn Mn6 1 0.52699200 0.33388600 0.41138100 1.0 Mn Mn7 1 0.51954800 0.34026300 0.07908300 1.0 Mn Mn8 1 0.49387700 0.37367300 0.75373800 1.0 Mn Mn9 1 0.48835200 0.63659300 0.91573400 1.0 Mn Mn10 1 0.53198800 0.65653200 0.57967600 1.0 Mn Mn11 1 0.52018600 0.65584700 0.24907500 1.0 O O12 1 0.80550600 0.10865300 0.36161900 1.0 O O13 1 0.76323800 0.10535300 0.02911800 1.0 O O14 1 0.78197200 0.90468400 0.52571100 1.0 O O15 1 0.79234900 0.89498500 0.19942500 1.0 O O16 1 0.70594300 0.39011400 0.85777000 1.0 O O17 1 0.70965000 0.59957100 0.69025700 1.0 O O18 1 0.71856200 0.38962300 0.52218100 1.0 O O19 1 0.70238500 0.59484800 0.02143100 1.0 O O20 1 0.27972400 0.60958600 0.80812800 1.0 O O21 1 0.31367700 0.37371600 0.30489300 1.0 F F22 1 0.73884400 0.11894600 0.70037300 1.0 F F23 1 0.75775300 0.88864200 0.85869100 1.0 F F24 1 0.75740500 0.60839600 0.36130700 1.0 F F25 1 0.76699000 0.40380800 0.19091800 1.0 F F26 1 0.23628100 0.37090300 0.97527400 1.0 F F27 1 0.24018000 0.38035900 0.64243700 1.0 F F28 1 0.27121100 0.63491300 0.47351000 1.0 F F29 1 0.26891200 0.61337300 0.13533800 1.0 F F30 1 0.22163000 0.12485200 0.80389800 1.0 F F31 1 0.25141800 0.13579800 0.47559300 1.0 F F32 1 0.22992000 0.89267200 0.63385200 1.0 F F33 1 0.21157200 0.86577700 0.97094000 1.0 F F34 1 0.25666000 0.12332100 0.14255700 1.0 F F35 1 0.25617700 0.86867000 0.31832400 1.0