# generated using pymatgen data_Mn6O5F7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.67736060 _cell_length_b 5.74669305 _cell_length_c 15.67342346 _cell_angle_alpha 90.03078798 _cell_angle_beta 89.38467030 _cell_angle_gamma 88.34778563 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn6O5F7 _chemical_formula_sum 'Mn12 O10 F14' _cell_volume 421.09193751 _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 0.01486400 0.17633600 0.41937300 1.0 Mn Mn1 1 0.01998200 0.84501900 0.24303100 1.0 Mn Mn2 1 0.03428200 0.16678300 0.08133700 1.0 Mn Mn3 1 0.00446800 0.14975500 0.74079700 1.0 Mn Mn4 1 0.02416600 0.85712500 0.57694100 1.0 Mn Mn5 1 0.02075600 0.86059400 0.91127100 1.0 Mn Mn6 1 0.48469600 0.33932000 0.58873300 1.0 Mn Mn7 1 0.50360200 0.32689000 0.92839300 1.0 Mn Mn8 1 0.51074000 0.35230300 0.25281300 1.0 Mn Mn9 1 0.48994400 0.64081300 0.08503200 1.0 Mn Mn10 1 0.49609100 0.64126400 0.42239900 1.0 Mn Mn11 1 0.49734700 0.64723400 0.75218100 1.0 O O12 1 0.21292200 0.10677900 0.63393000 1.0 O O13 1 0.22013700 0.11660500 0.97244000 1.0 O O14 1 0.23550400 0.88693700 0.13404500 1.0 O O15 1 0.22450000 0.89102600 0.47030300 1.0 O O16 1 0.22716500 0.88734700 0.79843400 1.0 O O17 1 0.28865000 0.39431000 0.14815500 1.0 O O18 1 0.28271300 0.40104500 0.48303300 1.0 O O19 1 0.72499200 0.38184100 0.03061500 1.0 O O20 1 0.72226400 0.38782500 0.36230700 1.0 O O21 1 0.70543900 0.37284200 0.69452100 1.0 F F22 1 0.23472600 0.11582200 0.30461300 1.0 F F23 1 0.25908100 0.60894200 0.30961600 1.0 F F24 1 0.25204900 0.60762800 0.64649300 1.0 F F25 1 0.26761100 0.38504500 0.81747300 1.0 F F26 1 0.25434300 0.61317500 0.97295600 1.0 F F27 1 0.73743000 0.61790700 0.19786900 1.0 F F28 1 0.75157800 0.62137300 0.53453200 1.0 F F29 1 0.72885100 0.61509900 0.86382300 1.0 F F30 1 0.78278800 0.12699600 0.18950900 1.0 F F31 1 0.74801500 0.11988100 0.52368300 1.0 F F32 1 0.75762200 0.87885200 0.35711100 1.0 F F33 1 0.75189900 0.87161600 0.02198300 1.0 F F34 1 0.76707100 0.12007800 0.84882700 1.0 F F35 1 0.76171000 0.86759300 0.68142600 1.0