# generated using pymatgen data_Mn2O3F _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.58694040 _cell_length_b 4.58694040 _cell_length_c 15.15738500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 92.89730397 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn2O3F _chemical_formula_sum 'Mn10 O15 F5' _cell_volume 318.50406461 _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 0.00145800 0.99854200 0.30042900 1.0 Mn Mn1 1 0.01195600 0.98804400 0.50000000 1.0 Mn Mn2 1 0.00145800 0.99854200 0.69957100 1.0 Mn Mn3 1 0.98389500 0.01610500 0.10052200 1.0 Mn Mn4 1 0.98389500 0.01610500 0.89947800 1.0 Mn Mn5 1 0.51927800 0.48072200 0.20006200 1.0 Mn Mn6 1 0.47992600 0.52007400 0.60002600 1.0 Mn Mn7 1 0.47992600 0.52007400 0.39997400 1.0 Mn Mn8 1 0.51927800 0.48072200 0.79993800 1.0 Mn Mn9 1 0.51468500 0.48531500 0.00000000 1.0 O O10 1 0.80956600 0.19043400 0.80006500 1.0 O O11 1 0.80956600 0.19043400 0.19993500 1.0 O O12 1 0.80443300 0.19556700 0.00000000 1.0 O O13 1 0.30926100 0.30784800 0.69980500 1.0 O O14 1 0.29420800 0.31584400 0.50000000 1.0 O O15 1 0.30926100 0.30784800 0.30019500 1.0 O O16 1 0.31171400 0.29948900 0.09990300 1.0 O O17 1 0.31171400 0.29948900 0.90009700 1.0 O O18 1 0.69215200 0.69073900 0.69980500 1.0 O O19 1 0.68415600 0.70579200 0.50000000 1.0 O O20 1 0.69215200 0.69073900 0.30019500 1.0 O O21 1 0.70051100 0.68828600 0.09990300 1.0 O O22 1 0.70051100 0.68828600 0.90009700 1.0 O O23 1 0.19086700 0.80913300 0.60051700 1.0 O O24 1 0.19086700 0.80913300 0.39948300 1.0 F F25 1 0.79091300 0.20908700 0.59488900 1.0 F F26 1 0.79091300 0.20908700 0.40511100 1.0 F F27 1 0.21051400 0.78948600 0.19511900 1.0 F F28 1 0.21051400 0.78948600 0.80488100 1.0 F F29 1 0.19045500 0.80954500 0.00000000 1.0