# generated using pymatgen data_Mn2O3F _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.58375086 _cell_length_b 4.58375086 _cell_length_c 9.05402300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 92.67839445 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn2O3F _chemical_formula_sum 'Mn6 O9 F3' _cell_volume 190.02419714 _cell_formula_units_Z 3 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 0.99917800 0.00082200 0.66672100 1.0 Mn Mn1 1 0.99917800 0.00082200 0.33327900 1.0 Mn Mn2 1 0.98690700 0.01309300 0.00000000 1.0 Mn Mn3 1 0.51907000 0.48093000 0.83272800 1.0 Mn Mn4 1 0.47461800 0.52538200 0.50000000 1.0 Mn Mn5 1 0.51907000 0.48093000 0.16727200 1.0 O O6 1 0.80891100 0.19108900 0.16799000 1.0 O O7 1 0.80891100 0.19108900 0.83201000 1.0 O O8 1 0.30329100 0.31341800 0.66726100 1.0 O O9 1 0.30329100 0.31341800 0.33273900 1.0 O O10 1 0.31576700 0.29395500 0.00000000 1.0 O O11 1 0.68658200 0.69670900 0.66726100 1.0 O O12 1 0.68658200 0.69670900 0.33273900 1.0 O O13 1 0.70604500 0.68423300 0.00000000 1.0 O O14 1 0.18638400 0.81361600 0.50000000 1.0 F F15 1 0.77817400 0.22182600 0.50000000 1.0 F F16 1 0.20902100 0.79097900 0.15746600 1.0 F F17 1 0.20902100 0.79097900 0.84253400 1.0