# generated using pymatgen data_Mn2OF3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.85453200 _cell_length_b 5.82068619 _cell_length_c 13.63770506 _cell_angle_alpha 77.97874116 _cell_angle_beta 87.06928502 _cell_angle_gamma 86.84182494 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn2OF3 _chemical_formula_sum 'Mn10 O5 F15' _cell_volume 376.02312689 _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 0.49215500 0.50302400 0.00283400 1.0 Mn Mn1 1 0.49798900 0.70149200 0.40004500 1.0 Mn Mn2 1 0.49444600 0.30088200 0.60258400 1.0 Mn Mn3 1 0.50110600 0.09984000 0.19975300 1.0 Mn Mn4 1 0.53070800 0.88484400 0.79203600 1.0 Mn Mn5 1 0.99818800 0.59989500 0.20067700 1.0 Mn Mn6 1 0.99834600 0.20171400 0.40040300 1.0 Mn Mn7 1 0.98027600 0.40973300 0.80498500 1.0 Mn Mn8 1 0.00502800 0.79751400 0.59772000 1.0 Mn Mn9 1 0.00679500 0.99807500 0.99881300 1.0 O O10 1 0.69278000 0.78804400 0.26247500 1.0 O O11 1 0.68936800 0.58295300 0.86530100 1.0 O O12 1 0.70408300 0.98001000 0.65877600 1.0 O O13 1 0.30502700 0.41089100 0.13921600 1.0 O O14 1 0.30183600 0.61847900 0.53718400 1.0 F F15 1 0.80102000 0.08959700 0.86131300 1.0 F F16 1 0.80145900 0.28370900 0.25997600 1.0 F F17 1 0.80615000 0.48206300 0.66074300 1.0 F F18 1 0.80269800 0.67994600 0.06053600 1.0 F F19 1 0.80338900 0.87953400 0.46142300 1.0 F F20 1 0.69596600 0.17938100 0.05992200 1.0 F F21 1 0.68991900 0.38338700 0.46020900 1.0 F F22 1 0.30713300 0.02017700 0.33975400 1.0 F F23 1 0.31432100 0.82893100 0.92990600 1.0 F F24 1 0.29743200 0.20920400 0.74704000 1.0 F F25 1 0.19784600 0.11485300 0.54014200 1.0 F F26 1 0.19713400 0.52075300 0.33865400 1.0 F F27 1 0.19938000 0.91417900 0.13943000 1.0 F F28 1 0.20098400 0.32237200 0.93980200 1.0 F F29 1 0.18703600 0.71452500 0.73835400 1.0