# generated using pymatgen data_Mn6O7F5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.59353000 _cell_length_b 5.64779051 _cell_length_c 15.30854161 _cell_angle_alpha 89.66359721 _cell_angle_beta 89.76842527 _cell_angle_gamma 88.65870276 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn6O7F5 _chemical_formula_sum 'Mn12 O14 F10' _cell_volume 397.03532032 _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 0.03054200 0.16003700 0.41219600 1.0 Mn Mn1 1 0.99614100 0.84359600 0.24219500 1.0 Mn Mn2 1 0.00440500 0.15459700 0.07534900 1.0 Mn Mn3 1 0.01518000 0.16889000 0.75077600 1.0 Mn Mn4 1 0.01703800 0.82475500 0.57711200 1.0 Mn Mn5 1 0.04595800 0.84501100 0.91288500 1.0 Mn Mn6 1 0.51217100 0.37362700 0.58593800 1.0 Mn Mn7 1 0.48271800 0.35471400 0.92504800 1.0 Mn Mn8 1 0.50649700 0.34585900 0.25752700 1.0 Mn Mn9 1 0.49878800 0.65078100 0.08682000 1.0 Mn Mn10 1 0.49797000 0.63770200 0.42333100 1.0 Mn Mn11 1 0.48329000 0.63459600 0.75103000 1.0 O O12 1 0.21411700 0.11266200 0.30040600 1.0 O O13 1 0.23248400 0.11908800 0.96974200 1.0 O O14 1 0.21439000 0.88487000 0.13333200 1.0 O O15 1 0.23623000 0.88634800 0.46769400 1.0 O O16 1 0.23508300 0.88219800 0.80463100 1.0 O O17 1 0.28425100 0.40056100 0.48065000 1.0 O O18 1 0.27663200 0.60629500 0.64380700 1.0 O O19 1 0.28109600 0.39496000 0.81337900 1.0 O O20 1 0.27502000 0.61125000 0.97691300 1.0 O O21 1 0.71819100 0.38137700 0.02816400 1.0 O O22 1 0.71099900 0.61511500 0.19725100 1.0 O O23 1 0.72452000 0.38349100 0.36416200 1.0 O O24 1 0.72137500 0.61581000 0.52683600 1.0 O O25 1 0.72603500 0.39283300 0.69358300 1.0 F F26 1 0.25200900 0.11706400 0.63334200 1.0 F F27 1 0.25095400 0.38276500 0.15253800 1.0 F F28 1 0.24887800 0.61665600 0.31859100 1.0 F F29 1 0.73993800 0.61635600 0.85885100 1.0 F F30 1 0.74668000 0.11416900 0.17942500 1.0 F F31 1 0.77821300 0.12932500 0.52779500 1.0 F F32 1 0.74790500 0.87132900 0.35778600 1.0 F F33 1 0.77517500 0.87065100 0.01309300 1.0 F F34 1 0.75515700 0.11711900 0.86506200 1.0 F F35 1 0.76396900 0.88354100 0.69276300 1.0