# generated using pymatgen data_Mn2OF3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.88376299 _cell_length_b 4.88376299 _cell_length_c 15.91330800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 93.32818853 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn2OF3 _chemical_formula_sum 'Mn10 O5 F15' _cell_volume 378.91039310 _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 0.01464500 0.01464500 0.39933600 1.0 Mn Mn1 1 0.02338400 0.02338400 0.19933000 1.0 Mn Mn2 1 0.96411300 0.96411300 0.00000000 1.0 Mn Mn3 1 0.01464500 0.01464500 0.60066400 1.0 Mn Mn4 1 0.02338400 0.02338400 0.80067000 1.0 Mn Mn5 1 0.48021500 0.48021500 0.50000000 1.0 Mn Mn6 1 0.49482900 0.49482900 0.09983500 1.0 Mn Mn7 1 0.48822300 0.48822300 0.29963700 1.0 Mn Mn8 1 0.49482900 0.49482900 0.90016500 1.0 Mn Mn9 1 0.48822300 0.48822300 0.70036300 1.0 O O10 1 0.32016500 0.32016500 0.19792500 1.0 O O11 1 0.30669600 0.30669600 0.39770600 1.0 O O12 1 0.30669600 0.30669600 0.60229400 1.0 O O13 1 0.32016500 0.32016500 0.80207500 1.0 O O14 1 0.66535100 0.66535100 0.00000000 1.0 F F15 1 0.79305900 0.19665000 0.89979100 1.0 F F16 1 0.79305900 0.19665000 0.10020900 1.0 F F17 1 0.81092000 0.20041900 0.30029900 1.0 F F18 1 0.80810300 0.19518500 0.50000000 1.0 F F19 1 0.81092000 0.20041900 0.69970100 1.0 F F20 1 0.28002300 0.28002300 0.00000000 1.0 F F21 1 0.70573800 0.70573800 0.20412400 1.0 F F22 1 0.69877500 0.69877500 0.39948900 1.0 F F23 1 0.69877500 0.69877500 0.60051100 1.0 F F24 1 0.70573800 0.70573800 0.79587600 1.0 F F25 1 0.19665000 0.79305900 0.10020900 1.0 F F26 1 0.20041900 0.81092000 0.30029900 1.0 F F27 1 0.19518500 0.80810300 0.50000000 1.0 F F28 1 0.19665000 0.79305900 0.89979100 1.0 F F29 1 0.20041900 0.81092000 0.69970100 1.0