# generated using pymatgen data_Mn6O5F7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.11636500 _cell_length_b 5.69554949 _cell_length_c 14.68418210 _cell_angle_alpha 90.60935891 _cell_angle_beta 91.61911724 _cell_angle_gamma 90.07192720 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn6O5F7 _chemical_formula_sum 'Mn12 O10 F14' _cell_volume 427.70900393 _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 0.96053500 0.88855800 0.00569100 1.0 Mn Mn1 1 0.51168400 0.14558700 0.17227200 1.0 Mn Mn2 1 0.01032500 0.88063500 0.33332100 1.0 Mn Mn3 1 0.50467300 0.08046100 0.51395000 1.0 Mn Mn4 1 0.04532300 0.88499500 0.66472100 1.0 Mn Mn5 1 0.50793200 0.03392300 0.82118000 1.0 Mn Mn6 1 0.01272300 0.47698600 0.16768200 1.0 Mn Mn7 1 0.48205200 0.49103700 0.00151800 1.0 Mn Mn8 1 0.51541100 0.56941600 0.66204900 1.0 Mn Mn9 1 0.04859400 0.42431100 0.49168200 1.0 Mn Mn10 1 0.50723400 0.58777400 0.32941300 1.0 Mn Mn11 1 0.95993900 0.58012300 0.82591900 1.0 O O12 1 0.35662100 0.84946400 0.59322800 1.0 O O13 1 0.73942200 0.79508200 0.74489900 1.0 O O14 1 0.18126500 0.60791200 0.06628400 1.0 O O15 1 0.82599400 0.63801000 0.26432900 1.0 O O16 1 0.75463800 0.67062500 0.93374400 1.0 O O17 1 0.21288200 0.64589400 0.73599300 1.0 O O18 1 0.19574700 0.63937400 0.39594500 1.0 O O19 1 0.35538700 0.35543100 0.57447800 1.0 O O20 1 0.32693500 0.39009700 0.23634200 1.0 O O21 1 0.68802100 0.38172100 0.10378300 1.0 F F22 1 0.34465700 0.90054300 0.24697000 1.0 F F23 1 0.68515400 0.89506200 0.09852300 1.0 F F24 1 0.66533700 0.84208700 0.41829300 1.0 F F25 1 0.21484800 0.89264800 0.90888800 1.0 F F26 1 0.83683400 0.59277600 0.58695900 1.0 F F27 1 0.24211800 0.41658100 0.89808100 1.0 F F28 1 0.68122900 0.33894700 0.42822600 1.0 F F29 1 0.67639100 0.33729100 0.75471300 1.0 F F30 1 0.17640600 0.12119200 0.41560900 1.0 F F31 1 0.17453100 0.11326600 0.07835400 1.0 F F32 1 0.17809300 0.13989600 0.75147700 1.0 F F33 1 0.87386600 0.09766300 0.57819200 1.0 F F34 1 0.70159300 0.16339400 0.93773400 1.0 F F35 1 0.84560800 0.13124100 0.25956200 1.0