# generated using pymatgen data_Mn3(OF2)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.79540325 _cell_length_b 4.68357000 _cell_length_c 9.72797666 _cell_angle_alpha 89.99985579 _cell_angle_beta 88.71312590 _cell_angle_gamma 89.99997499 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn3(OF2)2 _chemical_formula_sum 'Mn6 O4 F8' _cell_volume 218.43142417 _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 0.96529000 0.97724600 0.00816500 1.0 Mn Mn1 1 0.99997800 0.99995700 0.33332700 1.0 Mn Mn2 1 0.03477500 0.02279200 0.65848500 1.0 Mn Mn3 1 0.49998700 0.49999100 0.83332700 1.0 Mn Mn4 1 0.53471300 0.47715300 0.15850900 1.0 Mn Mn5 1 0.46530000 0.52279100 0.50816500 1.0 O O6 1 0.19340800 0.82854100 0.49998900 1.0 O O7 1 0.30658700 0.32854800 0.66668000 1.0 O O8 1 0.69340700 0.67146300 0.99999100 1.0 O O9 1 0.80658500 0.17146600 0.16667800 1.0 F F10 1 0.21797000 0.77139700 0.17023000 1.0 F F11 1 0.18518400 0.80581300 0.84555700 1.0 F F12 1 0.28202300 0.27140400 0.99643800 1.0 F F13 1 0.31480500 0.30580600 0.32111500 1.0 F F14 1 0.68518100 0.69419700 0.34555800 1.0 F F15 1 0.71797500 0.72861800 0.67022900 1.0 F F16 1 0.78202100 0.22861000 0.49643900 1.0 F F17 1 0.81481000 0.19420600 0.82111300 1.0