# generated using pymatgen data_Mn2O3F _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.59415455 _cell_length_b 4.59415455 _cell_length_c 15.16894900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 92.86438367 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn2O3F _chemical_formula_sum 'Mn10 O15 F5' _cell_volume 319.75971782 _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 0.98517600 0.01482400 0.20095600 1.0 Mn Mn1 1 0.00069100 0.99930900 0.40027300 1.0 Mn Mn2 1 0.00069100 0.99930900 0.59972700 1.0 Mn Mn3 1 0.98001500 0.01998500 0.00000000 1.0 Mn Mn4 1 0.98517600 0.01482400 0.79904400 1.0 Mn Mn5 1 0.51249500 0.48750500 0.10020600 1.0 Mn Mn6 1 0.47632700 0.52367300 0.50000000 1.0 Mn Mn7 1 0.51912200 0.48087800 0.30049200 1.0 Mn Mn8 1 0.51912200 0.48087800 0.69950800 1.0 Mn Mn9 1 0.51249500 0.48750500 0.89979400 1.0 O O10 1 0.80853100 0.19146900 0.69924800 1.0 O O11 1 0.80853100 0.19146900 0.30075200 1.0 O O12 1 0.80314400 0.19685600 0.09979300 1.0 O O13 1 0.80314400 0.19685600 0.90020700 1.0 O O14 1 0.30436500 0.31327800 0.59998000 1.0 O O15 1 0.30436500 0.31327800 0.40002000 1.0 O O16 1 0.31253000 0.29898700 0.20067000 1.0 O O17 1 0.30726500 0.30534300 0.00000000 1.0 O O18 1 0.31253000 0.29898700 0.79933000 1.0 O O19 1 0.68672200 0.69563500 0.59998000 1.0 O O20 1 0.68672200 0.69563500 0.40002000 1.0 O O21 1 0.70101300 0.68747000 0.20067000 1.0 O O22 1 0.69465700 0.69273500 0.00000000 1.0 O O23 1 0.70101300 0.68747000 0.79933000 1.0 O O24 1 0.18795200 0.81204800 0.50000000 1.0 F F25 1 0.77797300 0.22202700 0.50000000 1.0 F F26 1 0.21114200 0.78885800 0.29534500 1.0 F F27 1 0.19297300 0.80702700 0.10047400 1.0 F F28 1 0.21114200 0.78885800 0.70465500 1.0 F F29 1 0.19297300 0.80702700 0.89952600 1.0