# generated using pymatgen data_Mn2O3F _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.49565333 _cell_length_b 5.49565333 _cell_length_c 8.74623723 _cell_angle_alpha 87.77982424 _cell_angle_beta 87.77982424 _cell_angle_gamma 74.86922883 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn2O3F _chemical_formula_sum 'Mn8 O12 F4' _cell_volume 254.69440326 _cell_formula_units_Z 4 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 0.62341600 0.62670900 0.87554500 1.0 Mn Mn1 1 0.89186100 0.85734600 0.62586800 1.0 Mn Mn2 1 0.23105600 0.26969000 0.74927700 1.0 Mn Mn3 1 0.48535800 0.51464200 0.50000000 1.0 Mn Mn4 1 0.73031000 0.76894400 0.25072300 1.0 Mn Mn5 1 0.14265400 0.10813900 0.37413200 1.0 Mn Mn6 1 0.37329100 0.37658400 0.12445500 1.0 Mn Mn7 1 0.02753600 0.97246400 0.00000000 1.0 O O8 1 0.93910900 0.55796100 0.75002800 1.0 O O9 1 0.71708600 0.72800900 0.47413000 1.0 O O10 1 0.46900500 0.47418400 0.72061800 1.0 O O11 1 0.22607200 0.21822800 0.97030800 1.0 O O12 1 0.97352400 0.97274800 0.22192500 1.0 O O13 1 0.02725200 0.02647600 0.77807500 1.0 O O14 1 0.52581600 0.53099500 0.27938200 1.0 O O15 1 0.27199100 0.28291400 0.52587000 1.0 O O16 1 0.78177200 0.77392800 0.02969200 1.0 O O17 1 0.19816200 0.80183800 0.50000000 1.0 O O18 1 0.44203900 0.06089100 0.24997200 1.0 O O19 1 0.31265700 0.68734300 0.00000000 1.0 F F20 1 0.54604800 0.96592700 0.74398500 1.0 F F21 1 0.81017600 0.18982400 0.50000000 1.0 F F22 1 0.71973500 0.28026500 0.00000000 1.0 F F23 1 0.03407300 0.45395200 0.25601500 1.0