# generated using pymatgen data_Mn2OF3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.37450089 _cell_length_b 7.37450089 _cell_length_c 7.08270800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 128.66413007 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn2OF3 _chemical_formula_sum 'Mn8 O4 F12' _cell_volume 300.75750243 _cell_formula_units_Z 4 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 0.62487900 0.87485900 0.75000000 1.0 Mn Mn1 1 0.12514100 0.37512100 0.75000000 1.0 Mn Mn2 1 0.12588600 0.87411400 0.75000000 1.0 Mn Mn3 1 0.37621400 0.62378600 0.25000000 1.0 Mn Mn4 1 0.62378600 0.37621400 0.75000000 1.0 Mn Mn5 1 0.87411400 0.12588600 0.25000000 1.0 Mn Mn6 1 0.37512100 0.12514100 0.25000000 1.0 Mn Mn7 1 0.87485900 0.62487900 0.25000000 1.0 O O8 1 0.46926200 0.53073800 0.75000000 1.0 O O9 1 0.78030600 0.21969400 0.75000000 1.0 O O10 1 0.53073800 0.46926200 0.25000000 1.0 O O11 1 0.21969400 0.78030600 0.25000000 1.0 F F12 1 0.97371500 0.02628500 0.75000000 1.0 F F13 1 0.62388500 0.87346500 0.05201200 1.0 F F14 1 0.12653500 0.37611500 0.05201200 1.0 F F15 1 0.87346500 0.62388500 0.94798800 1.0 F F16 1 0.62388500 0.87346500 0.44798800 1.0 F F17 1 0.12653500 0.37611500 0.44798800 1.0 F F18 1 0.37611500 0.12653500 0.94798800 1.0 F F19 1 0.02628500 0.97371500 0.25000000 1.0 F F20 1 0.27712700 0.72287300 0.75000000 1.0 F F21 1 0.72287300 0.27712700 0.25000000 1.0 F F22 1 0.87346500 0.62388500 0.55201200 1.0 F F23 1 0.37611500 0.12653500 0.55201200 1.0