# generated using pymatgen data_Mn3OF5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.86511000 _cell_length_b 5.87261262 _cell_length_c 8.13857405 _cell_angle_alpha 92.35547746 _cell_angle_beta 90.14100484 _cell_angle_gamma 90.50778045 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn3OF5 _chemical_formula_sum 'Mn6 O2 F10' _cell_volume 232.31991580 _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 0.49454700 0.51276300 0.00344100 1.0 Mn Mn1 1 0.50749200 0.16734700 0.67242000 1.0 Mn Mn2 1 0.46513400 0.82626400 0.32707800 1.0 Mn Mn3 1 0.01611500 0.67554700 0.64958500 1.0 Mn Mn4 1 0.01474600 0.35016300 0.33422100 1.0 Mn Mn5 1 0.00825400 0.98012500 0.01354800 1.0 O O6 1 0.20039500 0.63635600 0.42680100 1.0 O O7 1 0.31208500 0.78337400 0.10755500 1.0 F F8 1 0.19073200 0.96998800 0.77053700 1.0 F F9 1 0.20004100 0.28394800 0.09945400 1.0 F F10 1 0.30533800 0.46919300 0.77239300 1.0 F F11 1 0.29823600 0.13627100 0.43732400 1.0 F F12 1 0.67593800 0.86274000 0.55083800 1.0 F F13 1 0.70896200 0.52773000 0.22306800 1.0 F F14 1 0.69855600 0.21069800 0.91348000 1.0 F F15 1 0.81007300 0.36894900 0.56873400 1.0 F F16 1 0.78838600 0.03423100 0.24469400 1.0 F F17 1 0.80497000 0.70431300 0.88483100 1.0