# generated using pymatgen data_Mn3(O2F)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.70550607 _cell_length_b 8.96989915 _cell_length_c 4.70548302 _cell_angle_alpha 90.00737918 _cell_angle_beta 89.99378945 _cell_angle_gamma 90.01929546 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn3(O2F)2 _chemical_formula_sum 'Mn6 O8 F4' _cell_volume 198.60861270 _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 0.99984200 0.33265300 0.99944500 1.0 Mn Mn1 1 0.50017600 0.14967300 0.50015600 1.0 Mn Mn2 1 0.49996600 0.51620000 0.50023000 1.0 Mn Mn3 1 0.50000500 0.83251000 0.50025900 1.0 Mn Mn4 1 0.99981100 0.01628600 0.00010800 1.0 Mn Mn5 1 0.00017300 0.64961700 0.99996000 1.0 O O6 1 0.80013600 0.16887300 0.19990300 1.0 O O7 1 0.81674000 0.49945300 0.18316500 1.0 O O8 1 0.31682500 0.99939800 0.31688000 1.0 O O9 1 0.29999300 0.66878100 0.30003500 1.0 O O10 1 0.68335700 0.99935000 0.68341100 1.0 O O11 1 0.69986200 0.66872500 0.69989900 1.0 O O12 1 0.19993800 0.16885500 0.80009700 1.0 O O13 1 0.18338200 0.49936700 0.81652500 1.0 F F14 1 0.82024500 0.83251100 0.17962700 1.0 F F15 1 0.32034400 0.33255700 0.32033600 1.0 F F16 1 0.67965000 0.33256800 0.67964000 1.0 F F17 1 0.17955300 0.83262200 0.82032700 1.0