# generated using pymatgen data_Mn6O7F5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.60828700 _cell_length_b 5.63867772 _cell_length_c 15.30231976 _cell_angle_alpha 89.75537470 _cell_angle_beta 89.56759067 _cell_angle_gamma 88.87044755 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn6O7F5 _chemical_formula_sum 'Mn12 O14 F10' _cell_volume 397.53338459 _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 0.02695900 0.16727200 0.41282000 1.0 Mn Mn1 1 0.99692500 0.84516100 0.24153900 1.0 Mn Mn2 1 0.00628300 0.15588400 0.07456200 1.0 Mn Mn3 1 0.01624800 0.16551000 0.74866500 1.0 Mn Mn4 1 0.03934700 0.85135700 0.58264700 1.0 Mn Mn5 1 0.04847300 0.84449900 0.91171300 1.0 Mn Mn6 1 0.48525100 0.34814200 0.58978200 1.0 Mn Mn7 1 0.48538600 0.35518400 0.92423100 1.0 Mn Mn8 1 0.50781400 0.34622800 0.25778700 1.0 Mn Mn9 1 0.50043300 0.65162400 0.08653800 1.0 Mn Mn10 1 0.49418500 0.64414100 0.42208300 1.0 Mn Mn11 1 0.48572000 0.63030200 0.75051500 1.0 O O12 1 0.21862800 0.10968200 0.30176200 1.0 O O13 1 0.22128800 0.11413000 0.63818300 1.0 O O14 1 0.23452200 0.11720600 0.96788000 1.0 O O15 1 0.21735300 0.88699500 0.13228000 1.0 O O16 1 0.23151000 0.89256700 0.47117600 1.0 O O17 1 0.23839800 0.88186400 0.80275600 1.0 O O18 1 0.28323300 0.39872800 0.48230700 1.0 O O19 1 0.27705200 0.60902500 0.64474200 1.0 O O20 1 0.27909500 0.39556900 0.81329400 1.0 O O21 1 0.27641700 0.61119100 0.97694600 1.0 O O22 1 0.72004600 0.38160100 0.02696300 1.0 O O23 1 0.71413400 0.61623300 0.19607600 1.0 O O24 1 0.72687600 0.38594500 0.36408400 1.0 O O25 1 0.71866000 0.37966900 0.69486500 1.0 F F26 1 0.25536700 0.38005500 0.15169200 1.0 F F27 1 0.23684000 0.61041500 0.31208800 1.0 F F28 1 0.76034700 0.62045600 0.53466900 1.0 F F29 1 0.74030400 0.62011900 0.85758600 1.0 F F30 1 0.75100300 0.11570000 0.17989700 1.0 F F31 1 0.76023500 0.12282400 0.52652400 1.0 F F32 1 0.74914400 0.87717700 0.35733100 1.0 F F33 1 0.77400100 0.87314500 0.01168700 1.0 F F34 1 0.76450000 0.12337900 0.86000900 1.0 F F35 1 0.75802600 0.87102200 0.69232100 1.0