# generated using pymatgen data_Mn6O7F5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.56826600 _cell_length_b 5.64294317 _cell_length_c 15.31514735 _cell_angle_alpha 89.73849733 _cell_angle_beta 89.85914675 _cell_angle_gamma 89.17274305 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn6O7F5 _chemical_formula_sum 'Mn12 O14 F10' _cell_volume 394.75460438 _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 0.00446600 0.84458200 0.59239200 1.0 Mn Mn1 1 0.02082400 0.16434600 0.75034800 1.0 Mn Mn2 1 0.01721100 0.82271400 0.92378300 1.0 Mn Mn3 1 0.02734500 0.84224700 0.25660900 1.0 Mn Mn4 1 0.00215000 0.15344400 0.42468100 1.0 Mn Mn5 1 0.01214900 0.15348100 0.09059500 1.0 Mn Mn6 1 0.51223400 0.64936400 0.40872200 1.0 Mn Mn7 1 0.49699300 0.65403200 0.08300200 1.0 Mn Mn8 1 0.49632300 0.63497200 0.74308300 1.0 Mn Mn9 1 0.52452000 0.37773700 0.90944500 1.0 Mn Mn10 1 0.49434000 0.35174700 0.57941600 1.0 Mn Mn11 1 0.50356000 0.36121200 0.24052100 1.0 O O12 1 0.22756500 0.88543300 0.69796200 1.0 O O13 1 0.22031000 0.88229500 0.36515600 1.0 O O14 1 0.21934700 0.88862600 0.03380600 1.0 O O15 1 0.21261600 0.11367300 0.53353800 1.0 O O16 1 0.23662800 0.11361200 0.19807100 1.0 O O17 1 0.28808700 0.60223000 0.85280200 1.0 O O18 1 0.27278200 0.39878800 0.68790800 1.0 O O19 1 0.27726900 0.60256500 0.18898700 1.0 O O20 1 0.72271000 0.62379100 0.97466700 1.0 O O21 1 0.74006200 0.39188300 0.80203700 1.0 O O22 1 0.71888400 0.61554400 0.63761800 1.0 O O23 1 0.71452800 0.38119000 0.46986700 1.0 O O24 1 0.71999500 0.37937600 0.13620900 1.0 O O25 1 0.73123700 0.60890900 0.30249000 1.0 F F26 1 0.24687400 0.10724300 0.86704900 1.0 F F27 1 0.25194700 0.61786300 0.51323200 1.0 F F28 1 0.26221200 0.37810300 0.34743300 1.0 F F29 1 0.25804300 0.38277600 0.01323100 1.0 F F30 1 0.76606200 0.88345100 0.80745800 1.0 F F31 1 0.75542300 0.87913600 0.48529600 1.0 F F32 1 0.74946000 0.11310800 0.64651200 1.0 F F33 1 0.76463200 0.13445900 0.97280800 1.0 F F34 1 0.77579600 0.88064100 0.15211600 1.0 F F35 1 0.75541800 0.12542700 0.31115300 1.0