# generated using pymatgen data_Mn2O3F _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.58038575 _cell_length_b 4.58038575 _cell_length_c 15.07699200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 92.49686716 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn2O3F _chemical_formula_sum 'Mn10 O15 F5' _cell_volume 316.01398361 _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 0.00006100 0.99993900 0.40012500 1.0 Mn Mn1 1 0.00006100 0.99993900 0.59987500 1.0 Mn Mn2 1 0.99927800 0.00072200 0.79993300 1.0 Mn Mn3 1 0.99927800 0.00072200 0.20006700 1.0 Mn Mn4 1 0.98649000 0.01351000 0.00000000 1.0 Mn Mn5 1 0.47550600 0.52449400 0.30026200 1.0 Mn Mn6 1 0.47550600 0.52449400 0.69973800 1.0 Mn Mn7 1 0.52413900 0.47586100 0.50000000 1.0 Mn Mn8 1 0.51860900 0.48139100 0.89947500 1.0 Mn Mn9 1 0.51860900 0.48139100 0.10052500 1.0 O O10 1 0.80882100 0.19117900 0.89917000 1.0 O O11 1 0.81271500 0.18728500 0.50000000 1.0 O O12 1 0.80882100 0.19117900 0.10083000 1.0 O O13 1 0.30358900 0.31334900 0.80030700 1.0 O O14 1 0.30829500 0.30811200 0.59991900 1.0 O O15 1 0.30829500 0.30811200 0.40008100 1.0 O O16 1 0.30358900 0.31334900 0.19969300 1.0 O O17 1 0.31533200 0.29409300 0.00000000 1.0 O O18 1 0.68665100 0.69641100 0.80030700 1.0 O O19 1 0.69188800 0.69170500 0.59991900 1.0 O O20 1 0.69188800 0.69170500 0.40008100 1.0 O O21 1 0.68665100 0.69641100 0.19969300 1.0 O O22 1 0.70590700 0.68466800 0.00000000 1.0 O O23 1 0.18678500 0.81321500 0.70002600 1.0 O O24 1 0.18678500 0.81321500 0.29997400 1.0 F F25 1 0.77923700 0.22076300 0.70045700 1.0 F F26 1 0.77923700 0.22076300 0.29954300 1.0 F F27 1 0.22044600 0.77955400 0.50000000 1.0 F F28 1 0.20876800 0.79123200 0.90548200 1.0 F F29 1 0.20876800 0.79123200 0.09451800 1.0