# generated using pymatgen data_Mn6O5F7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.73055600 _cell_length_b 5.76206343 _cell_length_c 15.57362437 _cell_angle_alpha 89.97811937 _cell_angle_beta 89.87930208 _cell_angle_gamma 88.40467784 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn6O5F7 _chemical_formula_sum 'Mn12 O10 F14' _cell_volume 424.33666875 _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 0.04824500 0.84753500 0.58625300 1.0 Mn Mn1 1 0.98889200 0.15232200 0.75521300 1.0 Mn Mn2 1 0.00993800 0.86155600 0.92095000 1.0 Mn Mn3 1 0.00764100 0.81261200 0.25334300 1.0 Mn Mn4 1 0.01814800 0.13226500 0.41827700 1.0 Mn Mn5 1 0.04957400 0.16198100 0.07996700 1.0 Mn Mn6 1 0.48577000 0.66455700 0.41606500 1.0 Mn Mn7 1 0.47647900 0.65186600 0.07951000 1.0 Mn Mn8 1 0.49632300 0.65034400 0.74766700 1.0 Mn Mn9 1 0.47662500 0.32985600 0.91079400 1.0 Mn Mn10 1 0.47687100 0.33966200 0.57657200 1.0 Mn Mn11 1 0.51051500 0.37627600 0.25036000 1.0 O O12 1 0.22225700 0.89092400 0.69563100 1.0 O O13 1 0.21418400 0.87899800 0.36315200 1.0 O O14 1 0.22594200 0.89908700 0.02525600 1.0 O O15 1 0.20156100 0.10211500 0.86164300 1.0 O O16 1 0.21902200 0.10439400 0.52722300 1.0 O O17 1 0.28765200 0.61921700 0.52519300 1.0 O O18 1 0.29050100 0.61068200 0.18729500 1.0 O O19 1 0.28426300 0.38505300 0.02047300 1.0 O O20 1 0.69947400 0.37031400 0.80593500 1.0 O O21 1 0.70110000 0.61826000 0.30927200 1.0 F F22 1 0.26430500 0.12684400 0.19966500 1.0 F F23 1 0.24904700 0.60319800 0.85936400 1.0 F F24 1 0.25095800 0.39542300 0.69117200 1.0 F F25 1 0.25208800 0.38427300 0.36026100 1.0 F F26 1 0.73053500 0.63767500 0.97276500 1.0 F F27 1 0.75452100 0.61525900 0.63607700 1.0 F F28 1 0.73710300 0.37460500 0.46542500 1.0 F F29 1 0.77460800 0.39086600 0.13395700 1.0 F F30 1 0.75400800 0.86686700 0.81669400 1.0 F F31 1 0.77419800 0.87079800 0.48435600 1.0 F F32 1 0.76087600 0.11809700 0.64243100 1.0 F F33 1 0.75160800 0.13086500 0.97595200 1.0 F F34 1 0.78649700 0.89670700 0.13859800 1.0 F F35 1 0.76867400 0.12864900 0.30724200 1.0