# generated using pymatgen data_Mn6OF11 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.91765200 _cell_length_b 4.95145300 _cell_length_c 16.18459262 _cell_angle_alpha 89.88854205 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn6OF11 _chemical_formula_sum 'Mn12 O2 F22' _cell_volume 474.22345866 _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 0.16552600 0.00000000 0.00000000 1.0 Mn Mn1 1 0.83224500 0.00895000 0.82699700 1.0 Mn Mn2 1 0.18623100 0.97140800 0.65819400 1.0 Mn Mn3 1 0.18623100 0.02859200 0.34180600 1.0 Mn Mn4 1 0.83224500 0.99105000 0.17300300 1.0 Mn Mn5 1 0.84137800 0.00000000 0.50000000 1.0 Mn Mn6 1 0.32935500 0.50101700 0.16807000 1.0 Mn Mn7 1 0.35079800 0.50000000 0.50000000 1.0 Mn Mn8 1 0.32935500 0.49898300 0.83193000 1.0 Mn Mn9 1 0.64493900 0.50593100 0.66223800 1.0 Mn Mn10 1 0.67210900 0.50000000 0.00000000 1.0 Mn Mn11 1 0.64493900 0.49406900 0.33776200 1.0 O O12 1 0.38908200 0.30661200 0.39701100 1.0 O O13 1 0.38908200 0.69338800 0.60298900 1.0 F F14 1 0.10088400 0.23378200 0.88906800 1.0 F F15 1 0.11006300 0.22049500 0.22656700 1.0 F F16 1 0.12154400 0.22821700 0.55218000 1.0 F F17 1 0.88270300 0.24229600 0.71437600 1.0 F F18 1 0.89296100 0.22679300 0.06030800 1.0 F F19 1 0.88647100 0.22830400 0.38895800 1.0 F F20 1 0.39089100 0.25381100 0.72285200 1.0 F F21 1 0.60575100 0.26924400 0.88896300 1.0 F F22 1 0.39275500 0.27162300 0.05755000 1.0 F F23 1 0.60554600 0.27423400 0.22663100 1.0 F F24 1 0.61367600 0.26476400 0.55473900 1.0 F F25 1 0.60554600 0.72576600 0.77336900 1.0 F F26 1 0.39275500 0.72837700 0.94245000 1.0 F F27 1 0.60575100 0.73075600 0.11103700 1.0 F F28 1 0.61367600 0.73523600 0.44526100 1.0 F F29 1 0.39089100 0.74618900 0.27714800 1.0 F F30 1 0.11006300 0.77950500 0.77343300 1.0 F F31 1 0.10088400 0.76621800 0.11093200 1.0 F F32 1 0.89296100 0.77320700 0.93969200 1.0 F F33 1 0.88647100 0.77169600 0.61104200 1.0 F F34 1 0.12154400 0.77178300 0.44782000 1.0 F F35 1 0.88270300 0.75770400 0.28562400 1.0