# generated using pymatgen data_Mn2OF3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.88659567 _cell_length_b 4.88659567 _cell_length_c 15.87682700 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 93.59887164 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn2OF3 _chemical_formula_sum 'Mn10 O5 F15' _cell_volume 378.37221272 _cell_formula_units_Z 5 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 0.02761300 0.02761300 0.29942500 1.0 Mn Mn1 1 0.96695600 0.96695600 0.09963700 1.0 Mn Mn2 1 0.96695600 0.96695600 0.90036300 1.0 Mn Mn3 1 0.02430000 0.02430000 0.50000000 1.0 Mn Mn4 1 0.02761300 0.02761300 0.70057500 1.0 Mn Mn5 1 0.49324200 0.49324200 0.39968700 1.0 Mn Mn6 1 0.49711000 0.49711000 0.00000000 1.0 Mn Mn7 1 0.49763000 0.49763000 0.19954900 1.0 Mn Mn8 1 0.49763000 0.49763000 0.80045100 1.0 Mn Mn9 1 0.49324200 0.49324200 0.60031300 1.0 O O10 1 0.32329900 0.32329900 0.29781700 1.0 O O11 1 0.31522600 0.31522600 0.50000000 1.0 O O12 1 0.32329900 0.32329900 0.70218300 1.0 O O13 1 0.67046600 0.67046600 0.90000600 1.0 O O14 1 0.67046600 0.67046600 0.09999400 1.0 F F15 1 0.79711200 0.19884900 0.80042300 1.0 F F16 1 0.78383000 0.17334800 0.00000000 1.0 F F17 1 0.79711200 0.19884900 0.19957700 1.0 F F18 1 0.82005400 0.20760000 0.40091400 1.0 F F19 1 0.82005400 0.20760000 0.59908600 1.0 F F20 1 0.28489900 0.28489900 0.90479800 1.0 F F21 1 0.28489900 0.28489900 0.09520200 1.0 F F22 1 0.71130100 0.71130100 0.30403300 1.0 F F23 1 0.70814600 0.70814600 0.50000000 1.0 F F24 1 0.71130100 0.71130100 0.69596700 1.0 F F25 1 0.17334800 0.78383000 0.00000000 1.0 F F26 1 0.19884900 0.79711200 0.19957700 1.0 F F27 1 0.20760000 0.82005400 0.40091400 1.0 F F28 1 0.19884900 0.79711200 0.80042300 1.0 F F29 1 0.20760000 0.82005400 0.59908600 1.0