# generated using pymatgen data_Mn3O5F _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.55038600 _cell_length_b 5.45888700 _cell_length_c 7.52234099 _cell_angle_alpha 86.38990077 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn3O5F _chemical_formula_sum 'Mn6 O10 F2' _cell_volume 186.48448643 _cell_formula_units_Z 2 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 0.47898400 0.57428900 0.16415200 1.0 Mn Mn1 1 0.51223600 0.91003900 0.83629900 1.0 Mn Mn2 1 0.51256200 0.24999100 0.48947000 1.0 Mn Mn3 1 0.01223600 0.08996100 0.16370100 1.0 Mn Mn4 1 0.01256200 0.75000900 0.51053000 1.0 Mn Mn5 1 0.97898400 0.42571100 0.83584800 1.0 O O6 1 0.19481100 0.04636800 0.39938800 1.0 O O7 1 0.19289800 0.38065000 0.05905700 1.0 O O8 1 0.19381000 0.71267600 0.73525300 1.0 O O9 1 0.30766000 0.87659000 0.06483500 1.0 O O10 1 0.30400500 0.54459400 0.39806100 1.0 O O11 1 0.69381000 0.28732400 0.26474700 1.0 O O12 1 0.69481100 0.95363200 0.60061200 1.0 O O13 1 0.69289800 0.61935000 0.94094300 1.0 O O14 1 0.80400500 0.45540600 0.60193900 1.0 O O15 1 0.80766000 0.12341000 0.93516500 1.0 F F16 1 0.30303400 0.21905900 0.73001900 1.0 F F17 1 0.80303400 0.78094100 0.26998100 1.0