# generated using pymatgen data_Mn6O7F5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.57170200 _cell_length_b 5.63998412 _cell_length_c 15.33077363 _cell_angle_alpha 90.11778246 _cell_angle_beta 90.31047067 _cell_angle_gamma 90.38620195 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn6O7F5 _chemical_formula_sum 'Mn12 O14 F10' _cell_volume 395.27802747 _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 0.97747300 0.84005800 0.40964100 1.0 Mn Mn1 1 0.98966900 0.15471400 0.24352300 1.0 Mn Mn2 1 0.98248700 0.83974900 0.08057700 1.0 Mn Mn3 1 0.98010300 0.83429500 0.74311300 1.0 Mn Mn4 1 0.99720400 0.15006000 0.57471500 1.0 Mn Mn5 1 0.96917300 0.13976000 0.91252300 1.0 Mn Mn6 1 0.50240600 0.65344200 0.58560200 1.0 Mn Mn7 1 0.50164100 0.65806700 0.92189800 1.0 Mn Mn8 1 0.50004200 0.65135600 0.25456600 1.0 Mn Mn9 1 0.49470300 0.36648000 0.09410700 1.0 Mn Mn10 1 0.49772900 0.36520700 0.42595300 1.0 Mn Mn11 1 0.51111200 0.36152100 0.75313500 1.0 O O12 1 0.78084500 0.88673400 0.30022000 1.0 O O13 1 0.78204200 0.89146900 0.63350400 1.0 O O14 1 0.77796100 0.88433700 0.97088500 1.0 O O15 1 0.76790900 0.11501400 0.13574300 1.0 O O16 1 0.76682400 0.11374100 0.46717400 1.0 O O17 1 0.76932400 0.10742600 0.80221200 1.0 O O18 1 0.72144800 0.60314700 0.14742500 1.0 O O19 1 0.71827900 0.60864700 0.47782700 1.0 O O20 1 0.71867000 0.60060800 0.81693400 1.0 O O21 1 0.27335900 0.61741900 0.03029400 1.0 O O22 1 0.27570700 0.38394700 0.19720300 1.0 O O23 1 0.27231400 0.61383300 0.36198000 1.0 O O24 1 0.27873600 0.38189400 0.52899600 1.0 O O25 1 0.28049500 0.61756700 0.69437600 1.0 F F26 1 0.74061300 0.38122100 0.31938100 1.0 F F27 1 0.76387100 0.39061300 0.64214300 1.0 F F28 1 0.72899500 0.38069500 0.98518500 1.0 F F29 1 0.24636300 0.38135900 0.86935400 1.0 F F30 1 0.23402600 0.88313600 0.18431400 1.0 F F31 1 0.22860900 0.87931300 0.51568600 1.0 F F32 1 0.24587000 0.12821600 0.35662200 1.0 F F33 1 0.24108100 0.12976600 0.02298100 1.0 F F34 1 0.23080900 0.87737000 0.85175900 1.0 F F35 1 0.25210500 0.12781900 0.68844900 1.0