# generated using pymatgen data_Mn6O5F7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.72227500 _cell_length_b 5.72789118 _cell_length_c 15.59270751 _cell_angle_alpha 89.69659166 _cell_angle_beta 88.96354395 _cell_angle_gamma 88.32646944 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn6O5F7 _chemical_formula_sum 'Mn12 O10 F14' _cell_volume 421.50844411 _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 0.95093800 0.16232900 0.58593700 1.0 Mn Mn1 1 0.02142100 0.84545800 0.75050000 1.0 Mn Mn2 1 0.95880000 0.15975300 0.92057200 1.0 Mn Mn3 1 0.01364300 0.15611000 0.25481800 1.0 Mn Mn4 1 0.97763500 0.85988300 0.42166000 1.0 Mn Mn5 1 0.93533300 0.83357600 0.08425800 1.0 Mn Mn6 1 0.50618100 0.33485600 0.41151000 1.0 Mn Mn7 1 0.51034600 0.34850800 0.07780300 1.0 Mn Mn8 1 0.52279200 0.35029700 0.75336500 1.0 Mn Mn9 1 0.48813100 0.63629000 0.91246800 1.0 Mn Mn10 1 0.52725700 0.65174500 0.57545300 1.0 Mn Mn11 1 0.51334400 0.65519100 0.24966600 1.0 O O12 1 0.78412100 0.11398400 0.69911600 1.0 O O13 1 0.78691200 0.11375500 0.36329900 1.0 O O14 1 0.75517900 0.11547800 0.02577000 1.0 O O15 1 0.76681000 0.88418700 0.52629900 1.0 O O16 1 0.78034400 0.89304200 0.19987500 1.0 O O17 1 0.71596300 0.37963000 0.86144200 1.0 O O18 1 0.70992500 0.39069300 0.51923200 1.0 O O19 1 0.69042000 0.60216700 0.02063700 1.0 O O20 1 0.29200600 0.61519000 0.80370100 1.0 O O21 1 0.30388100 0.37867200 0.30371700 1.0 F F22 1 0.76317400 0.88055500 0.85928600 1.0 F F23 1 0.76991800 0.61191500 0.68817300 1.0 F F24 1 0.74801100 0.61262800 0.35792900 1.0 F F25 1 0.76057300 0.40331300 0.18839500 1.0 F F26 1 0.23142200 0.38051000 0.97484800 1.0 F F27 1 0.29323300 0.39165100 0.64250600 1.0 F F28 1 0.25080100 0.61843100 0.46623200 1.0 F F29 1 0.26545200 0.61326500 0.13710600 1.0 F F30 1 0.21944200 0.11610000 0.81680500 1.0 F F31 1 0.22240300 0.13267200 0.48248700 1.0 F F32 1 0.25942000 0.88223400 0.63534500 1.0 F F33 1 0.20711000 0.87428700 0.97083700 1.0 F F34 1 0.25096700 0.12487200 0.14026000 1.0 F F35 1 0.24669200 0.87677100 0.31869500 1.0