# generated using pymatgen data_Mn3(O2F)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.69450170 _cell_length_b 5.56231228 _cell_length_c 5.56231228 _cell_angle_alpha 68.96065842 _cell_angle_beta 68.80211751 _cell_angle_gamma 68.80211751 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn3(O2F)2 _chemical_formula_sum 'Mn6 O8 F4' _cell_volume 199.67435241 _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 0.84783600 0.67368000 0.67368000 1.0 Mn Mn1 1 0.65782700 0.33813000 0.33813000 1.0 Mn Mn2 1 0.31699000 0.66081900 0.66081900 1.0 Mn Mn3 1 0.17929400 0.34116900 0.34116900 1.0 Mn Mn4 1 0.49552400 0.99771500 0.99771500 1.0 Mn Mn5 1 0.00038700 0.99283300 0.99283300 1.0 O O6 1 0.67063900 0.03358100 0.63871600 1.0 O O7 1 0.33255800 0.36342800 0.97144300 1.0 O O8 1 0.04747200 0.76816400 0.76816400 1.0 O O9 1 0.36680500 0.43881400 0.43881400 1.0 O O10 1 0.33255800 0.97144300 0.36342800 1.0 O O11 1 0.67063900 0.63871600 0.03358100 1.0 O O12 1 0.00153900 0.30488200 0.69224500 1.0 O O13 1 0.00153900 0.69224500 0.30488200 1.0 F F14 1 0.30816700 0.88084400 0.88084400 1.0 F F15 1 0.61482500 0.56722600 0.56722600 1.0 F F16 1 0.96081300 0.22444000 0.22444000 1.0 F F17 1 0.69458600 0.11187100 0.11187100 1.0