# generated using pymatgen data_Mn3(OF3)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.25167487 _cell_length_b 4.73458601 _cell_length_c 5.50224484 _cell_angle_alpha 90.00044125 _cell_angle_beta 95.50249226 _cell_angle_gamma 89.99252129 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn3(OF3)2 _chemical_formula_sum 'Mn6 O4 F12' _cell_volume 265.83422947 _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 0.00000300 0.49998600 0.49992800 1.0 Mn Mn1 1 0.24558600 0.97721900 0.73776600 1.0 Mn Mn2 1 0.25436900 0.47722100 0.26219700 1.0 Mn Mn3 1 0.49999000 0.00005400 0.50005200 1.0 Mn Mn4 1 0.74564300 0.52281200 0.73780100 1.0 Mn Mn5 1 0.75438900 0.02277000 0.26224000 1.0 O O6 1 0.17456200 0.68106800 0.51520200 1.0 O O7 1 0.32542300 0.18121700 0.48476900 1.0 O O8 1 0.67457500 0.81874300 0.51527200 1.0 O O9 1 0.82543400 0.31891800 0.48479500 1.0 F F10 1 0.08531400 0.16595300 0.70189400 1.0 F F11 1 0.08541000 0.31302700 0.22126200 1.0 F F12 1 0.18950500 0.76174900 0.01159700 1.0 F F13 1 0.31043300 0.26177300 0.98844300 1.0 F F14 1 0.41454700 0.81312000 0.77865200 1.0 F F15 1 0.41465600 0.66587500 0.29806000 1.0 F F16 1 0.58536900 0.33415800 0.70195000 1.0 F F17 1 0.58544500 0.18685700 0.22139000 1.0 F F18 1 0.68957400 0.73820500 0.01153000 1.0 F F19 1 0.81048300 0.23825800 0.98839800 1.0 F F20 1 0.91460600 0.68695300 0.77870800 1.0 F F21 1 0.91468100 0.83406100 0.29809600 1.0