# generated using pymatgen data_Mn6O5F7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.30825186 _cell_length_b 4.63950557 _cell_length_c 4.66506731 _cell_angle_alpha 85.73807870 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn6O5F7 _chemical_formula_sum 'Mn6 O5 F7' _cell_volume 200.90703354 _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 0.00000000 0.98105203 0.00629820 1.0 Mn Mn1 1 0.66017743 0.01310154 0.97316704 1.0 Mn Mn2 1 0.33982257 0.01310154 0.97316704 1.0 Mn Mn3 1 0.15771489 0.48031183 0.50813368 1.0 Mn Mn4 1 0.84228511 0.48031183 0.50813368 1.0 Mn Mn5 1 0.50000000 0.51087531 0.54438278 1.0 O O6 1 0.50000000 0.83169999 0.80836555 1.0 O O7 1 0.00000000 0.27845908 0.70401405 1.0 O O8 1 0.67418989 0.31738988 0.69328484 1.0 O O9 1 0.32581011 0.31738988 0.69328484 1.0 O O10 1 0.00000000 0.67714379 0.30601868 1.0 F F11 1 0.83508493 0.79640370 0.80446304 1.0 F F12 1 0.16491507 0.79640370 0.80446304 1.0 F F13 1 0.67256019 0.70939164 0.29464435 1.0 F F14 1 0.32743981 0.70939164 0.29464435 1.0 F F15 1 0.82462427 0.18074311 0.18321621 1.0 F F16 1 0.50000000 0.22608438 0.21710143 1.0 F F17 1 0.17537573 0.18074311 0.18321621 1.0