# generated using pymatgen data_Mn6O5F7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.70102600 _cell_length_b 5.71429771 _cell_length_c 15.62877262 _cell_angle_alpha 90.66917129 _cell_angle_beta 90.39076307 _cell_angle_gamma 90.05581887 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn6O5F7 _chemical_formula_sum 'Mn12 O10 F14' _cell_volume 419.79805962 _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 0.99850100 0.84496400 0.41049800 1.0 Mn Mn1 1 0.01252200 0.15511700 0.24642900 1.0 Mn Mn2 1 0.99898100 0.82989300 0.07145600 1.0 Mn Mn3 1 0.95075300 0.84250800 0.74964500 1.0 Mn Mn4 1 0.95389500 0.16039000 0.58331200 1.0 Mn Mn5 1 0.97252200 0.13823600 0.91182000 1.0 Mn Mn6 1 0.50899400 0.66095200 0.59127800 1.0 Mn Mn7 1 0.50681900 0.65468200 0.91772400 1.0 Mn Mn8 1 0.49621500 0.65856000 0.25963000 1.0 Mn Mn9 1 0.46802500 0.36508700 0.08907100 1.0 Mn Mn10 1 0.51546800 0.34200100 0.41911000 1.0 Mn Mn11 1 0.51946600 0.34689900 0.75114800 1.0 O O12 1 0.79739100 0.88687100 0.30162300 1.0 O O13 1 0.76351400 0.89341700 0.64177600 1.0 O O14 1 0.78100500 0.87860000 0.96709400 1.0 O O15 1 0.77665000 0.10671300 0.46762200 1.0 O O16 1 0.77145500 0.10424200 0.80572500 1.0 O O17 1 0.70776100 0.40282900 0.64446000 1.0 O O18 1 0.70904300 0.60106000 0.81040900 1.0 O O19 1 0.28401600 0.62592600 0.02435200 1.0 O O20 1 0.27613400 0.39461100 0.19981300 1.0 O O21 1 0.29956900 0.61260700 0.36699000 1.0 F F22 1 0.76555800 0.11332400 0.13037000 1.0 F F23 1 0.73146700 0.62743300 0.15001800 1.0 F F24 1 0.76770000 0.38260600 0.30902000 1.0 F F25 1 0.75017100 0.59393200 0.47751100 1.0 F F26 1 0.72956700 0.38122000 0.98304900 1.0 F F27 1 0.26181000 0.39217000 0.53373000 1.0 F F28 1 0.26905900 0.36624200 0.86172800 1.0 F F29 1 0.22954000 0.62189400 0.69919500 1.0 F F30 1 0.23527800 0.89919400 0.18085400 1.0 F F31 1 0.23508000 0.87997100 0.52684500 1.0 F F32 1 0.26999900 0.11362600 0.35727500 1.0 F F33 1 0.22526700 0.12623000 0.01559700 1.0 F F34 1 0.22416700 0.86680600 0.85028300 1.0 F F35 1 0.23663800 0.12918600 0.69354200 1.0