# generated using pymatgen data_Mn6O5F7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.70438928 _cell_length_b 5.75275539 _cell_length_c 15.62619803 _cell_angle_alpha 90.02833197 _cell_angle_beta 89.45681019 _cell_angle_gamma 91.54666923 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn6O5F7 _chemical_formula_sum 'Mn12 O10 F14' _cell_volume 422.72185303 _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 0.05213600 0.16005000 0.41423700 1.0 Mn Mn1 1 0.99082200 0.84395100 0.24754800 1.0 Mn Mn2 1 0.01357400 0.17476000 0.07796800 1.0 Mn Mn3 1 0.99696300 0.15763700 0.74171000 1.0 Mn Mn4 1 0.02735300 0.85754200 0.57874900 1.0 Mn Mn5 1 0.03637600 0.86130200 0.91139800 1.0 Mn Mn6 1 0.50063400 0.33355100 0.58807300 1.0 Mn Mn7 1 0.50524300 0.33573000 0.92482900 1.0 Mn Mn8 1 0.48154400 0.34695500 0.24854600 1.0 Mn Mn9 1 0.51931600 0.62349800 0.09013500 1.0 Mn Mn10 1 0.47681900 0.65222000 0.42479800 1.0 Mn Mn11 1 0.49278100 0.65627300 0.75191100 1.0 O O12 1 0.22040700 0.11687000 0.30292300 1.0 O O13 1 0.21898300 0.11133800 0.63613900 1.0 O O14 1 0.22251900 0.12304400 0.97051000 1.0 O O15 1 0.23469200 0.88422800 0.47398300 1.0 O O16 1 0.21591400 0.89558900 0.80011000 1.0 O O17 1 0.27696300 0.38960000 0.14157000 1.0 O O18 1 0.29139600 0.38988800 0.47923800 1.0 O O19 1 0.71663400 0.38049300 0.02968200 1.0 O O20 1 0.71658300 0.60491800 0.19484000 1.0 O O21 1 0.70735700 0.37222300 0.69545200 1.0 F F22 1 0.25177700 0.87916300 0.13425700 1.0 F F23 1 0.23999800 0.61501000 0.31105900 1.0 F F24 1 0.25328600 0.60549300 0.64300500 1.0 F F25 1 0.26093900 0.39465700 0.82029200 1.0 F F26 1 0.27903700 0.62706900 0.98368200 1.0 F F27 1 0.71608000 0.39386500 0.35798500 1.0 F F28 1 0.75185200 0.61715000 0.53359400 1.0 F F29 1 0.73896700 0.61364600 0.86801500 1.0 F F30 1 0.77436500 0.10750000 0.18669600 1.0 F F31 1 0.78087400 0.13213500 0.51592300 1.0 F F32 1 0.74604600 0.88348700 0.36486900 1.0 F F33 1 0.77531600 0.86788400 0.02608300 1.0 F F34 1 0.75906300 0.11720500 0.85097900 1.0 F F35 1 0.75739800 0.87407600 0.67921300 1.0