# generated using pymatgen data_Mn6O5F7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.71596583 _cell_length_b 5.75376258 _cell_length_c 15.63529145 _cell_angle_alpha 90.35599689 _cell_angle_beta 90.24049129 _cell_angle_gamma 86.83601829 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn6O5F7 _chemical_formula_sum 'Mn12 O10 F14' _cell_volume 423.59851676 _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 0.99130900 0.15206600 0.41278000 1.0 Mn Mn1 1 0.03972900 0.83379800 0.24353500 1.0 Mn Mn2 1 0.02067200 0.17513100 0.08799700 1.0 Mn Mn3 1 0.03257600 0.16916000 0.74839900 1.0 Mn Mn4 1 0.00737700 0.85353900 0.57808900 1.0 Mn Mn5 1 0.01263900 0.84714800 0.90959000 1.0 Mn Mn6 1 0.48408400 0.31822300 0.59569800 1.0 Mn Mn7 1 0.50548600 0.35070300 0.91931000 1.0 Mn Mn8 1 0.50550200 0.36102700 0.25511700 1.0 Mn Mn9 1 0.49591100 0.63706100 0.08716700 1.0 Mn Mn10 1 0.48296700 0.65019900 0.41412600 1.0 Mn Mn11 1 0.48887700 0.64114500 0.75212200 1.0 O O12 1 0.20666100 0.10849800 0.63907900 1.0 O O13 1 0.23989700 0.88208600 0.14004500 1.0 O O14 1 0.21574500 0.89002600 0.46486600 1.0 O O15 1 0.23355800 0.88832300 0.80182300 1.0 O O16 1 0.29414200 0.39575500 0.14758200 1.0 O O17 1 0.28361600 0.61724300 0.30700500 1.0 O O18 1 0.28568800 0.39692900 0.81372500 1.0 O O19 1 0.71872600 0.38512200 0.02656000 1.0 O O20 1 0.71926700 0.38327000 0.36321700 1.0 O O21 1 0.72027100 0.37968900 0.69681500 1.0 F F22 1 0.23177100 0.11990300 0.30788400 1.0 F F23 1 0.23733800 0.11705600 0.97051700 1.0 F F24 1 0.25189600 0.38006600 0.48370400 1.0 F F25 1 0.24399700 0.60808200 0.64073300 1.0 F F26 1 0.25498900 0.61220200 0.97571200 1.0 F F27 1 0.76213900 0.61458600 0.19217200 1.0 F F28 1 0.70740400 0.62533200 0.52505400 1.0 F F29 1 0.73207300 0.61714700 0.86635600 1.0 F F30 1 0.77140300 0.11565700 0.20047600 1.0 F F31 1 0.74997300 0.11923400 0.51732900 1.0 F F32 1 0.78458800 0.87854100 0.34662800 1.0 F F33 1 0.76283400 0.87976000 0.02412500 1.0 F F34 1 0.78204800 0.13001200 0.85536600 1.0 F F35 1 0.74284500 0.86628200 0.68929400 1.0