# generated using pymatgen data_Mn8O13F3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.51698600 _cell_length_b 5.54137032 _cell_length_c 9.99298018 _cell_angle_alpha 89.62126158 _cell_angle_beta 89.88212851 _cell_angle_gamma 89.00395290 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn8O13F3 _chemical_formula_sum 'Mn8 O13 F3' _cell_volume 250.08348255 _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 0.02354200 0.16318300 0.61942400 1.0 Mn Mn1 1 0.01309700 0.85062000 0.36798900 1.0 Mn Mn2 1 0.98618400 0.14061700 0.11932200 1.0 Mn Mn3 1 0.00922700 0.84081700 0.87338600 1.0 Mn Mn4 1 0.48762300 0.36366800 0.88301200 1.0 Mn Mn5 1 0.51529800 0.35266900 0.38003300 1.0 Mn Mn6 1 0.51710700 0.66181700 0.12556900 1.0 Mn Mn7 1 0.48549600 0.64041000 0.63007500 1.0 O O8 1 0.23727700 0.10910800 0.45585900 1.0 O O9 1 0.22427800 0.11654300 0.95849700 1.0 O O10 1 0.23295800 0.88938700 0.20655800 1.0 O O11 1 0.22752200 0.88566000 0.70761700 1.0 O O12 1 0.26750000 0.60615700 0.46137500 1.0 O O13 1 0.27144800 0.39671300 0.71794800 1.0 O O14 1 0.27220300 0.61417100 0.96779600 1.0 O O15 1 0.72837900 0.38552300 0.04185400 1.0 O O16 1 0.73466400 0.61221100 0.29025100 1.0 O O17 1 0.72951200 0.38585900 0.54201500 1.0 O O18 1 0.72448300 0.61058200 0.79124200 1.0 O O19 1 0.76736400 0.10824100 0.28800100 1.0 O O20 1 0.77357400 0.89000000 0.03360900 1.0 F F21 1 0.26012400 0.37909400 0.21225800 1.0 F F22 1 0.75437800 0.12074700 0.78702900 1.0 F F23 1 0.75676200 0.87620100 0.53928300 1.0