# generated using pymatgen data_Mn2O3F _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.48311762 _cell_length_b 5.48311762 _cell_length_c 8.82566912 _cell_angle_alpha 87.40318378 _cell_angle_beta 87.40318378 _cell_angle_gamma 73.04143905 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn2O3F _chemical_formula_sum 'Mn8 O12 F4' _cell_volume 253.39830087 _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 0.86208600 0.86208600 0.63925900 1.0 Mn Mn1 1 0.13791400 0.13791400 0.36074100 1.0 Mn Mn2 1 0.50000000 0.50000000 0.50000000 1.0 Mn Mn3 1 0.75603000 0.75603000 0.26038300 1.0 Mn Mn4 1 0.00000000 0.00000000 0.00000000 1.0 Mn Mn5 1 0.39302800 0.39302800 0.13191300 1.0 Mn Mn6 1 0.60697200 0.60697200 0.86808700 1.0 Mn Mn7 1 0.24397000 0.24397000 0.73961700 1.0 O O8 1 0.06823300 0.44663100 0.24438000 1.0 O O9 1 0.97260200 0.97260200 0.22047100 1.0 O O10 1 0.72249800 0.72249800 0.48220600 1.0 O O11 1 0.46404000 0.46404000 0.71901300 1.0 O O12 1 0.27750200 0.27750200 0.51779400 1.0 O O13 1 0.53596000 0.53596000 0.28098700 1.0 O O14 1 0.02739800 0.02739800 0.77952900 1.0 O O15 1 0.93176700 0.55336900 0.75562000 1.0 O O16 1 0.44663100 0.06823300 0.24438000 1.0 O O17 1 0.69272500 0.30727500 0.00000000 1.0 O O18 1 0.55336900 0.93176700 0.75562000 1.0 O O19 1 0.30727500 0.69272500 0.00000000 1.0 F F20 1 0.18044300 0.81955700 0.50000000 1.0 F F21 1 0.81955700 0.18044300 0.50000000 1.0 F F22 1 0.23741500 0.23741500 0.97316500 1.0 F F23 1 0.76258500 0.76258500 0.02683500 1.0