# generated using pymatgen data_Mn6O7F5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.56862591 _cell_length_b 5.64113171 _cell_length_c 15.34618663 _cell_angle_alpha 89.96014782 _cell_angle_beta 90.44197078 _cell_angle_gamma 90.79676116 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn6O7F5 _chemical_formula_sum 'Mn12 O14 F10' _cell_volume 395.45523002 _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 0.03267500 0.17621100 0.40797400 1.0 Mn Mn1 1 0.03044300 0.83843700 0.24581300 1.0 Mn Mn2 1 0.99846800 0.15237400 0.07560900 1.0 Mn Mn3 1 0.01843200 0.16506300 0.74421200 1.0 Mn Mn4 1 0.99208800 0.84843300 0.58189900 1.0 Mn Mn5 1 0.01405400 0.84905100 0.90657000 1.0 Mn Mn6 1 0.50319900 0.35114500 0.58734000 1.0 Mn Mn7 1 0.49744900 0.34786800 0.92108300 1.0 Mn Mn8 1 0.50089400 0.36286100 0.25643200 1.0 Mn Mn9 1 0.50895500 0.65435900 0.09018100 1.0 Mn Mn10 1 0.51701000 0.62396400 0.42056100 1.0 Mn Mn11 1 0.49798900 0.63524500 0.76083200 1.0 O O12 1 0.24099800 0.11289500 0.30066000 1.0 O O13 1 0.20924700 0.11617500 0.63499300 1.0 O O14 1 0.21899500 0.11236800 0.96700700 1.0 O O15 1 0.21545900 0.88623400 0.13368500 1.0 O O16 1 0.23263000 0.88665400 0.80110200 1.0 O O17 1 0.28718800 0.59754900 0.31512200 1.0 O O18 1 0.28834400 0.39153600 0.47836200 1.0 O O19 1 0.27523300 0.39745300 0.81308300 1.0 O O20 1 0.71437000 0.38257400 0.03095200 1.0 O O21 1 0.72404600 0.61573000 0.19760600 1.0 O O22 1 0.72805000 0.38410300 0.35982500 1.0 O O23 1 0.73436200 0.61218100 0.52958000 1.0 O O24 1 0.72242600 0.61731800 0.86294000 1.0 O O25 1 0.72174800 0.39083400 0.69621100 1.0 F F26 1 0.25438600 0.87973500 0.46904100 1.0 F F27 1 0.24933500 0.38338300 0.15155500 1.0 F F28 1 0.25131000 0.62448600 0.65013000 1.0 F F29 1 0.25294100 0.61744200 0.98562200 1.0 F F30 1 0.74905300 0.12707000 0.19125100 1.0 F F31 1 0.77463400 0.10444500 0.51749100 1.0 F F32 1 0.78102200 0.86952600 0.36097300 1.0 F F33 1 0.75411800 0.88279000 0.01135400 1.0 F F34 1 0.77140600 0.12624300 0.84810200 1.0 F F35 1 0.73704400 0.87626200 0.69484800 1.0