# generated using pymatgen data_Mn2O3F _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.57351657 _cell_length_b 9.62393297 _cell_length_c 6.05903134 _cell_angle_alpha 71.57485619 _cell_angle_beta 90.00440789 _cell_angle_gamma 89.03143930 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn2O3F _chemical_formula_sum 'Mn8 O12 F4' _cell_volume 252.97809817 _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 0.47120600 0.23849000 0.62830600 1.0 Mn Mn1 1 0.52181200 0.26311900 0.12142800 1.0 Mn Mn2 1 0.50891300 0.74391900 0.38399200 1.0 Mn Mn3 1 0.52952900 0.75390200 0.86422900 1.0 Mn Mn4 1 0.99099700 0.99496400 0.50407400 1.0 Mn Mn5 1 0.01097100 0.49750400 0.74778300 1.0 Mn Mn6 1 0.96980000 0.00546600 0.99614500 1.0 Mn Mn7 1 0.00269200 0.50091500 0.25289400 1.0 O O8 1 0.81211800 0.40858600 0.04588600 1.0 O O9 1 0.80433600 0.90165200 0.79791200 1.0 O O10 1 0.80652000 0.90214900 0.29818100 1.0 O O11 1 0.68377500 0.15606100 0.92406400 1.0 O O12 1 0.68979200 0.15395700 0.42154700 1.0 O O13 1 0.70020500 0.65086800 0.67296600 1.0 O O14 1 0.69427800 0.65550900 0.17130600 1.0 O O15 1 0.30579800 0.34322100 0.82847000 1.0 O O16 1 0.31486500 0.84484000 0.57646900 1.0 O O17 1 0.30436600 0.34487700 0.32759700 1.0 O O18 1 0.19223700 0.59659400 0.45149600 1.0 O O19 1 0.18572900 0.09052500 0.70551800 1.0 F F20 1 0.77950000 0.38961600 0.55563700 1.0 F F21 1 0.30176000 0.85170800 0.07630200 1.0 F F22 1 0.21567800 0.60967200 0.94668400 1.0 F F23 1 0.20312400 0.10188700 0.20111000 1.0