# generated using pymatgen data_Mn2O3F _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.03122100 _cell_length_b 6.34420022 _cell_length_c 7.28875050 _cell_angle_alpha 90.00000000 _cell_angle_beta 114.43966838 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn2O3F _chemical_formula_sum 'Mn8 O12 F4' _cell_volume 253.90206431 _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 0.00133600 0.00000000 0.00009700 1.0 Mn Mn1 1 0.49876200 0.00000000 0.00009700 1.0 Mn Mn2 1 0.50129700 0.00000000 0.50259400 1.0 Mn Mn3 1 0.75309200 0.50000000 0.00618400 1.0 Mn Mn4 1 0.99690800 0.00000000 0.49381600 1.0 Mn Mn5 1 0.24870300 0.50000000 0.99740600 1.0 Mn Mn6 1 0.74866400 0.50000000 0.49990300 1.0 Mn Mn7 1 0.25123800 0.50000000 0.49990300 1.0 O O8 1 0.84369100 0.00000000 0.18738100 1.0 O O9 1 0.00175500 0.30886600 0.00058800 1.0 O O10 1 0.49883200 0.30886600 0.00058800 1.0 O O11 1 0.25116800 0.19113400 0.49941200 1.0 O O12 1 0.00175500 0.69113400 0.00058800 1.0 O O13 1 0.49883200 0.69113400 0.00058800 1.0 O O14 1 0.74824500 0.19113400 0.49941200 1.0 O O15 1 0.15613800 0.00000000 0.81227700 1.0 O O16 1 0.90630900 0.50000000 0.31261900 1.0 O O17 1 0.59386200 0.50000000 0.68772300 1.0 O O18 1 0.25116800 0.80886600 0.49941200 1.0 O O19 1 0.74824500 0.80886600 0.49941200 1.0 F F20 1 0.35888900 0.00000000 0.21777900 1.0 F F21 1 0.39111100 0.50000000 0.28222100 1.0 F F22 1 0.64285500 0.00000000 0.78571100 1.0 F F23 1 0.10714500 0.50000000 0.71428900 1.0