# generated using pymatgen data_Mn2O3F _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.58672045 _cell_length_b 9.67614874 _cell_length_c 6.04681500 _cell_angle_alpha 71.79247096 _cell_angle_beta 90.00000000 _cell_angle_gamma 87.86285778 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn2O3F _chemical_formula_sum 'Mn8 O12 F4' _cell_volume 254.73501317 _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 0.47529700 0.23748700 0.63125600 1.0 Mn Mn1 1 0.52470300 0.26251300 0.11874400 1.0 Mn Mn2 1 0.50000000 0.75000000 0.37500000 1.0 Mn Mn3 1 0.50000000 0.75000000 0.87500000 1.0 Mn Mn4 1 0.00126500 0.00119800 0.49517500 1.0 Mn Mn5 1 0.99873500 0.49880200 0.74637300 1.0 Mn Mn6 1 0.00126500 0.00119800 0.00362700 1.0 Mn Mn7 1 0.99873500 0.49880200 0.25482500 1.0 O O8 1 0.81050600 0.40747700 0.04626100 1.0 O O9 1 0.81128700 0.90616900 0.29691500 1.0 O O10 1 0.69276300 0.15497100 0.92303700 1.0 O O11 1 0.69276300 0.15497100 0.42199200 1.0 O O12 1 0.69201300 0.65432600 0.67381300 1.0 O O13 1 0.69201300 0.65432600 0.17186100 1.0 O O14 1 0.30723700 0.34502900 0.82696300 1.0 O O15 1 0.30798700 0.84567400 0.57813900 1.0 O O16 1 0.30798700 0.84567400 0.07618700 1.0 O O17 1 0.30723700 0.34502900 0.32800800 1.0 O O18 1 0.18871300 0.59383100 0.45308500 1.0 O O19 1 0.18949400 0.09252300 0.70373900 1.0 F F20 1 0.77758400 0.38835100 0.55582400 1.0 F F21 1 0.78630200 0.89313200 0.80343500 1.0 F F22 1 0.21369800 0.60686800 0.94656500 1.0 F F23 1 0.22241600 0.11164900 0.19417600 1.0