# generated using pymatgen data_Mn8O13F3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.51754200 _cell_length_b 5.55272262 _cell_length_c 9.96303543 _cell_angle_alpha 89.65844756 _cell_angle_beta 89.58086961 _cell_angle_gamma 87.49677094 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn8O13F3 _chemical_formula_sum 'Mn8 O13 F3' _cell_volume 249.67018876 _cell_formula_units_Z 1 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 0.98466600 0.83885900 0.62825700 1.0 Mn Mn1 1 0.99608000 0.14619900 0.36894500 1.0 Mn Mn2 1 0.01967900 0.86211900 0.12347700 1.0 Mn Mn3 1 0.97888900 0.13668500 0.87540600 1.0 Mn Mn4 1 0.50226900 0.66096800 0.88128000 1.0 Mn Mn5 1 0.49393600 0.64908400 0.37938200 1.0 Mn Mn6 1 0.48691200 0.33871100 0.12193800 1.0 Mn Mn7 1 0.52286200 0.36006000 0.62338700 1.0 O O8 1 0.77252400 0.88932100 0.46038700 1.0 O O9 1 0.77329100 0.89509100 0.96656700 1.0 O O10 1 0.77462300 0.11331400 0.21026400 1.0 O O11 1 0.76098800 0.11228600 0.70963600 1.0 O O12 1 0.74392000 0.39309600 0.46003400 1.0 O O13 1 0.72507200 0.60829000 0.71372400 1.0 O O14 1 0.72513500 0.38252000 0.96033300 1.0 O O15 1 0.26514800 0.61612400 0.04106200 1.0 O O16 1 0.27344900 0.38798800 0.29003100 1.0 O O17 1 0.27116000 0.61068400 0.54067800 1.0 O O18 1 0.24354800 0.89150200 0.28877700 1.0 O O19 1 0.22554600 0.10426700 0.03333400 1.0 O O20 1 0.22112900 0.88383700 0.78830000 1.0 F F21 1 0.74575500 0.62579000 0.21146500 1.0 F F22 1 0.25278800 0.37265100 0.78519000 1.0 F F23 1 0.24062800 0.12055500 0.53814800 1.0