# generated using pymatgen data_Mn3(O2F)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.30623433 _cell_length_b 10.30623433 _cell_length_c 3.08295400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 143.05720098 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn3(O2F)2 _chemical_formula_sum 'Mn6 O8 F4' _cell_volume 196.81315467 _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 0.84004100 0.15995900 0.00000000 1.0 Mn Mn1 1 0.00000000 0.00000000 0.50000000 1.0 Mn Mn2 1 0.34072600 0.65927400 0.50000000 1.0 Mn Mn3 1 0.15995900 0.84004100 0.00000000 1.0 Mn Mn4 1 0.50000000 0.50000000 0.00000000 1.0 Mn Mn5 1 0.65927400 0.34072600 0.50000000 1.0 O O6 1 0.90095000 0.09905000 0.50000000 1.0 O O7 1 0.14201000 0.47393900 0.00000000 1.0 O O8 1 0.52606100 0.85799000 0.00000000 1.0 O O9 1 0.85799000 0.52606100 0.00000000 1.0 O O10 1 0.09905000 0.90095000 0.50000000 1.0 O O11 1 0.43675800 0.56324200 0.50000000 1.0 O O12 1 0.56324200 0.43675800 0.50000000 1.0 O O13 1 0.47393900 0.14201000 0.00000000 1.0 F F14 1 0.19285800 0.19285800 0.00000000 1.0 F F15 1 0.23269300 0.76730700 0.50000000 1.0 F F16 1 0.80714200 0.80714200 0.00000000 1.0 F F17 1 0.76730700 0.23269300 0.50000000 1.0