# generated using pymatgen data_Mn2OF3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.20124637 _cell_length_b 6.20124637 _cell_length_c 4.86193400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000396 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn2OF3 _chemical_formula_sum 'Mn4 O2 F6' _cell_volume 161.91893746 _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 0.50000000 0.50000000 0.50000000 1.0 Mn Mn1 1 0.50000000 0.00000000 0.50000000 1.0 Mn Mn2 1 0.00000000 0.50000000 0.50000000 1.0 Mn Mn3 1 0.00000000 0.00000000 0.00000000 1.0 O O4 1 0.33333300 0.66666700 0.65505200 1.0 O O5 1 0.66666700 0.33333300 0.34494800 1.0 F F6 1 0.16215600 0.83784400 0.25790400 1.0 F F7 1 0.16215600 0.32431300 0.25790400 1.0 F F8 1 0.67568700 0.83784400 0.25790400 1.0 F F9 1 0.32431300 0.16215600 0.74209600 1.0 F F10 1 0.83784400 0.67568700 0.74209600 1.0 F F11 1 0.83784400 0.16215600 0.74209600 1.0