# generated using pymatgen data_Mn6O5F7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.70856629 _cell_length_b 5.71971780 _cell_length_c 15.68255291 _cell_angle_alpha 90.25470323 _cell_angle_beta 89.95224726 _cell_angle_gamma 88.34944370 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn6O5F7 _chemical_formula_sum 'Mn12 O10 F14' _cell_volume 422.17773834 _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 0.01035100 0.16970000 0.41536200 1.0 Mn Mn1 1 0.98347200 0.82541000 0.23707900 1.0 Mn Mn2 1 0.99168300 0.14977400 0.08053800 1.0 Mn Mn3 1 0.05909100 0.16891100 0.75315900 1.0 Mn Mn4 1 0.01455400 0.85805700 0.57939700 1.0 Mn Mn5 1 0.05368100 0.83385100 0.91307700 1.0 Mn Mn6 1 0.45904800 0.32985200 0.58140700 1.0 Mn Mn7 1 0.52421600 0.36453700 0.92236000 1.0 Mn Mn8 1 0.51678000 0.35944400 0.25502500 1.0 Mn Mn9 1 0.49373900 0.64743600 0.08343500 1.0 Mn Mn10 1 0.48729900 0.64927900 0.42140100 1.0 Mn Mn11 1 0.49367000 0.64928400 0.75576700 1.0 O O12 1 0.21302800 0.10548900 0.63397900 1.0 O O13 1 0.20609100 0.88438700 0.13185600 1.0 O O14 1 0.21765100 0.89188100 0.46953400 1.0 O O15 1 0.25501500 0.88407600 0.81116900 1.0 O O16 1 0.26208900 0.39632600 0.47742800 1.0 O O17 1 0.31354800 0.40057800 0.81477500 1.0 O O18 1 0.29883700 0.61484000 0.97504700 1.0 O O19 1 0.72882800 0.38061300 0.03132500 1.0 O O20 1 0.69974400 0.62063300 0.19263700 1.0 O O21 1 0.72274500 0.39448900 0.36600500 1.0 F F22 1 0.21984800 0.10684100 0.29781100 1.0 F F23 1 0.24105600 0.11931900 0.97534200 1.0 F F24 1 0.24414500 0.37744800 0.14905300 1.0 F F25 1 0.24167700 0.61278900 0.31057100 1.0 F F26 1 0.24185100 0.60452700 0.64567500 1.0 F F27 1 0.72831600 0.62015000 0.53811000 1.0 F F28 1 0.78339700 0.61622000 0.85669700 1.0 F F29 1 0.70918900 0.37268600 0.69068700 1.0 F F30 1 0.74538900 0.11411300 0.18572200 1.0 F F31 1 0.75003600 0.11520800 0.52234700 1.0 F F32 1 0.75424900 0.88754800 0.35574300 1.0 F F33 1 0.78701300 0.88030400 0.01252500 1.0 F F34 1 0.79224400 0.12653500 0.86468100 1.0 F F35 1 0.75643200 0.86746300 0.69327600 1.0