# generated using pymatgen data_Mn2O3F _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.59186500 _cell_length_b 5.52356700 _cell_length_c 10.18173066 _cell_angle_alpha 83.12713333 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn2O3F _chemical_formula_sum 'Mn8 O12 F4' _cell_volume 256.38835074 _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 0.52212000 0.74511700 0.76075400 1.0 Mn Mn1 1 0.47788000 0.25488300 0.23924600 1.0 Mn Mn2 1 0.50000000 0.00000000 0.00000000 1.0 Mn Mn3 1 0.50000000 0.50000000 0.50000000 1.0 Mn Mn4 1 0.00000000 0.50000000 0.00000000 1.0 Mn Mn5 1 0.97788000 0.74511700 0.26075400 1.0 Mn Mn6 1 0.00000000 0.00000000 0.50000000 1.0 Mn Mn7 1 0.02212000 0.25488300 0.73924600 1.0 O O8 1 0.79663200 0.48291300 0.17557500 1.0 O O9 1 0.80580300 0.72330700 0.42776600 1.0 O O10 1 0.80133300 0.99100500 0.67124900 1.0 O O11 1 0.69419700 0.72330700 0.92776600 1.0 O O12 1 0.70336800 0.48291300 0.67557500 1.0 O O13 1 0.69866700 0.99100500 0.17124900 1.0 O O14 1 0.29663200 0.51708700 0.32442500 1.0 O O15 1 0.30133300 0.00899500 0.82875100 1.0 O O16 1 0.30580300 0.27669300 0.07223400 1.0 O O17 1 0.19419700 0.27669300 0.57223400 1.0 O O18 1 0.19866700 0.00899500 0.32875100 1.0 O O19 1 0.20336800 0.51708700 0.82442500 1.0 F F20 1 0.81656400 0.21938400 0.90987000 1.0 F F21 1 0.68343600 0.21938400 0.40987000 1.0 F F22 1 0.31656400 0.78061600 0.59013000 1.0 F F23 1 0.18343600 0.78061600 0.09013000 1.0