# generated using pymatgen data_Mn6O7F5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.61286098 _cell_length_b 5.63595979 _cell_length_c 15.37854673 _cell_angle_alpha 89.84544759 _cell_angle_beta 90.39676350 _cell_angle_gamma 90.18876154 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn6O7F5 _chemical_formula_sum 'Mn12 O14 F10' _cell_volume 399.79671856 _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 0.03532600 0.17585600 0.40602400 1.0 Mn Mn1 1 0.02208000 0.83442900 0.24521000 1.0 Mn Mn2 1 0.99041500 0.15323300 0.07905400 1.0 Mn Mn3 1 0.01007300 0.16931800 0.74675500 1.0 Mn Mn4 1 0.98202400 0.85115200 0.58068100 1.0 Mn Mn5 1 0.05105300 0.85380200 0.91325300 1.0 Mn Mn6 1 0.49575800 0.34742300 0.58630000 1.0 Mn Mn7 1 0.48762200 0.35401000 0.92560900 1.0 Mn Mn8 1 0.49769600 0.36596900 0.25573600 1.0 Mn Mn9 1 0.49772700 0.65339100 0.08561400 1.0 Mn Mn10 1 0.51703400 0.62287700 0.41958700 1.0 Mn Mn11 1 0.48562100 0.63840900 0.75601100 1.0 O O12 1 0.23715600 0.11398400 0.29916700 1.0 O O13 1 0.20291200 0.11030800 0.63548800 1.0 O O14 1 0.23538800 0.11561400 0.97164900 1.0 O O15 1 0.20832000 0.88854000 0.13367200 1.0 O O16 1 0.22788900 0.89103300 0.80449700 1.0 O O17 1 0.28634500 0.59944100 0.31430500 1.0 O O18 1 0.29048900 0.38589100 0.47589500 1.0 O O19 1 0.28227600 0.39597500 0.81684500 1.0 O O20 1 0.28715500 0.61493400 0.97653000 1.0 O O21 1 0.71644800 0.37875800 0.03094900 1.0 O O22 1 0.71526700 0.61687500 0.19495400 1.0 O O23 1 0.72925500 0.38404000 0.35811200 1.0 O O24 1 0.72839700 0.61208100 0.52886500 1.0 O O25 1 0.71298400 0.38570400 0.69544500 1.0 F F26 1 0.25663700 0.87890700 0.46724700 1.0 F F27 1 0.24370000 0.38475500 0.15029500 1.0 F F28 1 0.22785400 0.61979100 0.64098500 1.0 F F29 1 0.76350800 0.61643400 0.86821000 1.0 F F30 1 0.74098400 0.12679100 0.19227600 1.0 F F31 1 0.77766700 0.10572500 0.51539400 1.0 F F32 1 0.78249100 0.86807800 0.36024400 1.0 F F33 1 0.77731700 0.87983500 0.01366200 1.0 F F34 1 0.76777900 0.12870800 0.85964000 1.0 F F35 1 0.72935500 0.87792800 0.69584100 1.0