# generated using pymatgen data_Mn8O13F3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.49561100 _cell_length_b 4.97141401 _cell_length_c 11.05410150 _cell_angle_alpha 89.55388368 _cell_angle_beta 87.76097085 _cell_angle_gamma 89.41852835 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn8O13F3 _chemical_formula_sum 'Mn8 O13 F3' _cell_volume 246.84604155 _cell_formula_units_Z 1 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 0.01768900 0.24689200 0.43344500 1.0 Mn Mn1 1 0.01196800 0.74414000 0.08352400 1.0 Mn Mn2 1 0.98173400 0.75144900 0.56540900 1.0 Mn Mn3 1 0.00951400 0.26548000 0.92600000 1.0 Mn Mn4 1 0.49739700 0.74622300 0.82652600 1.0 Mn Mn5 1 0.51051400 0.23518200 0.67768200 1.0 Mn Mn6 1 0.49120100 0.24462700 0.16743200 1.0 Mn Mn7 1 0.49358800 0.76294300 0.32476900 1.0 O O8 1 0.22828600 0.07739600 0.05437000 1.0 O O9 1 0.23304700 0.57950400 0.44393500 1.0 O O10 1 0.22842600 0.07036500 0.55575000 1.0 O O11 1 0.22618400 0.58265000 0.94420700 1.0 O O12 1 0.27613700 0.57837400 0.19514400 1.0 O O13 1 0.26907600 0.08620900 0.30725600 1.0 O O14 1 0.26366200 0.07901900 0.80554100 1.0 O O15 1 0.73263400 0.92336800 0.19467800 1.0 O O16 1 0.73025600 0.91256700 0.69221800 1.0 O O17 1 0.72522100 0.41606300 0.80482300 1.0 O O18 1 0.77379800 0.92813300 0.44382200 1.0 O O19 1 0.77027400 0.42745200 0.05642100 1.0 O O20 1 0.76224600 0.41955400 0.55440900 1.0 F F21 1 0.24810500 0.56742300 0.68379700 1.0 F F22 1 0.74558400 0.42147800 0.31141200 1.0 F F23 1 0.77346200 0.93350500 0.94743200 1.0