# generated using pymatgen data_Mn6O5F7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.65680416 _cell_length_b 5.73145498 _cell_length_c 15.66196265 _cell_angle_alpha 90.15645799 _cell_angle_beta 89.15957838 _cell_angle_gamma 89.94451011 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn6O5F7 _chemical_formula_sum 'Mn12 O10 F14' _cell_volume 417.97516851 _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 0.05841100 0.15823300 0.41397000 1.0 Mn Mn1 1 0.00625900 0.84417500 0.24327600 1.0 Mn Mn2 1 0.00268600 0.14814900 0.07716100 1.0 Mn Mn3 1 0.00179500 0.15849400 0.74220300 1.0 Mn Mn4 1 0.02404600 0.86125900 0.57901300 1.0 Mn Mn5 1 0.03682600 0.86046800 0.90898600 1.0 Mn Mn6 1 0.50867400 0.33571400 0.93028100 1.0 Mn Mn7 1 0.49641400 0.33652300 0.58733900 1.0 Mn Mn8 1 0.49452400 0.34379900 0.25109300 1.0 Mn Mn9 1 0.50923200 0.65617000 0.09206700 1.0 Mn Mn10 1 0.48841100 0.65279700 0.42404800 1.0 Mn Mn11 1 0.49793100 0.64842000 0.75210400 1.0 O O12 1 0.23127800 0.10682300 0.30061100 1.0 O O13 1 0.21767900 0.11147400 0.63616900 1.0 O O14 1 0.22333000 0.11849200 0.97034500 1.0 O O15 1 0.21594400 0.88761300 0.13392300 1.0 O O16 1 0.23517000 0.88959800 0.47292300 1.0 O O17 1 0.22507000 0.89097200 0.79963200 1.0 O O18 1 0.29569200 0.39135400 0.48012400 1.0 O O19 1 0.72055200 0.38025800 0.03389200 1.0 O O20 1 0.70722800 0.61678100 0.19862800 1.0 O O21 1 0.70759100 0.37431600 0.69499100 1.0 F F22 1 0.23762900 0.38798000 0.14610700 1.0 F F23 1 0.25046400 0.59705100 0.31170500 1.0 F F24 1 0.25179800 0.60746400 0.64443000 1.0 F F25 1 0.26883800 0.39339300 0.82201600 1.0 F F26 1 0.27602600 0.62487900 0.98358700 1.0 F F27 1 0.74434400 0.38778100 0.36406600 1.0 F F28 1 0.75228900 0.62126800 0.53426800 1.0 F F29 1 0.74324900 0.61254500 0.86663100 1.0 F F30 1 0.76448000 0.87701900 0.35790600 1.0 F F31 1 0.75089800 0.11688400 0.18476800 1.0 F F32 1 0.77308200 0.12700200 0.51728300 1.0 F F33 1 0.76404500 0.87981200 0.01204600 1.0 F F34 1 0.76195700 0.12181500 0.85018900 1.0 F F35 1 0.75615600 0.87322500 0.68222000 1.0