# generated using pymatgen data_Mn6O5F7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.74537500 _cell_length_b 5.75731530 _cell_length_c 15.59549659 _cell_angle_alpha 88.82690879 _cell_angle_beta 88.61049917 _cell_angle_gamma 85.49082347 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn6O5F7 _chemical_formula_sum 'Mn12 O10 F14' _cell_volume 424.56122565 _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 0.01067700 0.84828000 0.41582900 1.0 Mn Mn1 1 0.96631800 0.16158900 0.24317600 1.0 Mn Mn2 1 0.98100200 0.82778000 0.08751800 1.0 Mn Mn3 1 0.97334700 0.83569900 0.75014400 1.0 Mn Mn4 1 0.97329500 0.16856400 0.57808600 1.0 Mn Mn5 1 0.99879900 0.15898000 0.90845800 1.0 Mn Mn6 1 0.48841800 0.64268100 0.59354000 1.0 Mn Mn7 1 0.50802700 0.65682400 0.91999100 1.0 Mn Mn8 1 0.50496600 0.64367500 0.25406900 1.0 Mn Mn9 1 0.50636800 0.36316300 0.08806600 1.0 Mn Mn10 1 0.51875700 0.34848800 0.41144100 1.0 Mn Mn11 1 0.53105400 0.36367900 0.75076100 1.0 O O12 1 0.76544100 0.11684600 0.14109200 1.0 O O13 1 0.78501200 0.11900200 0.46724500 1.0 O O14 1 0.77244200 0.11433200 0.80169200 1.0 O O15 1 0.71045200 0.60822200 0.14520200 1.0 O O16 1 0.72608400 0.38388900 0.30519800 1.0 O O17 1 0.71719300 0.39092600 0.64146000 1.0 O O18 1 0.72831800 0.61551600 0.81262300 1.0 O O19 1 0.28309800 0.61422900 0.02720400 1.0 O O20 1 0.29001000 0.61765200 0.36268200 1.0 O O21 1 0.26579800 0.60324600 0.69758900 1.0 F F22 1 0.76949600 0.88211500 0.30926700 1.0 F F23 1 0.75934400 0.88924200 0.63489800 1.0 F F24 1 0.77208700 0.88949700 0.97161900 1.0 F F25 1 0.73891800 0.62147000 0.48524500 1.0 F F26 1 0.74891900 0.39083400 0.97567200 1.0 F F27 1 0.24600100 0.38782500 0.19391400 1.0 F F28 1 0.28003400 0.37410700 0.51857600 1.0 F F29 1 0.29359600 0.37948000 0.85877900 1.0 F F30 1 0.23288400 0.88657600 0.19924900 1.0 F F31 1 0.23918600 0.87662500 0.52942200 1.0 F F32 1 0.21937500 0.11728100 0.34755000 1.0 F F33 1 0.24126500 0.12175000 0.02646900 1.0 F F34 1 0.24085100 0.87985500 0.85961900 1.0 F F35 1 0.21316700 0.10008200 0.68665500 1.0