# generated using pymatgen data_Mn6O5F7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.69008011 _cell_length_b 5.74141327 _cell_length_c 15.67634771 _cell_angle_alpha 90.98491687 _cell_angle_beta 91.15114165 _cell_angle_gamma 88.32422445 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn6O5F7 _chemical_formula_sum 'Mn12 O10 F14' _cell_volume 421.80389391 _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 0.01540800 0.16642500 0.41794900 1.0 Mn Mn1 1 0.99817300 0.83572700 0.23683800 1.0 Mn Mn2 1 0.99939000 0.14882900 0.07553200 1.0 Mn Mn3 1 0.03344500 0.16019600 0.75688200 1.0 Mn Mn4 1 0.03992500 0.83734100 0.58005000 1.0 Mn Mn5 1 0.01169400 0.85902300 0.91275500 1.0 Mn Mn6 1 0.48618400 0.35703300 0.58137300 1.0 Mn Mn7 1 0.47879700 0.33504200 0.92245100 1.0 Mn Mn8 1 0.52823900 0.35796600 0.25529300 1.0 Mn Mn9 1 0.50288600 0.64485300 0.08855300 1.0 Mn Mn10 1 0.48851000 0.64674600 0.42009100 1.0 Mn Mn11 1 0.46874000 0.65334300 0.75274200 1.0 O O12 1 0.20391600 0.10891300 0.97088000 1.0 O O13 1 0.21420900 0.87860200 0.13171600 1.0 O O14 1 0.23116500 0.88533200 0.47245000 1.0 O O15 1 0.22105700 0.89779800 0.81054000 1.0 O O16 1 0.27485500 0.39002200 0.47510200 1.0 O O17 1 0.28513400 0.61093000 0.63686500 1.0 O O18 1 0.27662300 0.38696600 0.81487600 1.0 O O19 1 0.70922400 0.37454100 0.02838700 1.0 O O20 1 0.71595500 0.61829000 0.19536500 1.0 O O21 1 0.72669300 0.39506800 0.36524700 1.0 F F22 1 0.23618500 0.10813300 0.29743900 1.0 F F23 1 0.25543100 0.11056700 0.64290700 1.0 F F24 1 0.25902600 0.37755800 0.15057900 1.0 F F25 1 0.24778800 0.61528900 0.30919600 1.0 F F26 1 0.26249500 0.60966800 0.98012100 1.0 F F27 1 0.74613800 0.61555700 0.52840300 1.0 F F28 1 0.74084000 0.62849100 0.86109900 1.0 F F29 1 0.74685600 0.37811100 0.69413900 1.0 F F30 1 0.76525000 0.11918100 0.18165200 1.0 F F31 1 0.76757900 0.11200200 0.53530900 1.0 F F32 1 0.76898900 0.89732400 0.35554600 1.0 F F33 1 0.75481900 0.86840500 0.01283700 1.0 F F34 1 0.74190600 0.12522800 0.85741300 1.0 F F35 1 0.79647800 0.88550100 0.69142400 1.0