# generated using pymatgen data_Mn6O5F7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.73206500 _cell_length_b 5.72297068 _cell_length_c 15.57540982 _cell_angle_alpha 90.05413560 _cell_angle_beta 90.65870551 _cell_angle_gamma 91.60871627 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn6O5F7 _chemical_formula_sum 'Mn12 O10 F14' _cell_volume 421.61052691 _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 0.99479900 0.84936800 0.59003700 1.0 Mn Mn1 1 0.02289800 0.14326700 0.75660400 1.0 Mn Mn2 1 0.01642700 0.81805200 0.91377100 1.0 Mn Mn3 1 0.05285100 0.84572400 0.25063900 1.0 Mn Mn4 1 0.03953000 0.15680600 0.41800400 1.0 Mn Mn5 1 0.00323700 0.15920400 0.08671300 1.0 Mn Mn6 1 0.48388100 0.66253300 0.41099100 1.0 Mn Mn7 1 0.51086700 0.65025400 0.08111500 1.0 Mn Mn8 1 0.48218300 0.66439200 0.74412300 1.0 Mn Mn9 1 0.49363400 0.35648000 0.91067100 1.0 Mn Mn10 1 0.49637400 0.34669600 0.58185100 1.0 Mn Mn11 1 0.47112800 0.35133200 0.25113500 1.0 O O12 1 0.20915900 0.89551700 0.69807700 1.0 O O13 1 0.23042400 0.89014300 0.35968300 1.0 O O14 1 0.22148800 0.10893000 0.86367800 1.0 O O15 1 0.22596000 0.10775900 0.53204500 1.0 O O16 1 0.23013400 0.11699600 0.19871000 1.0 O O17 1 0.28418700 0.59904200 0.85077500 1.0 O O18 1 0.28608200 0.39418600 0.35577100 1.0 O O19 1 0.29731000 0.61529200 0.19099000 1.0 O O20 1 0.72281900 0.60724100 0.97302400 1.0 O O21 1 0.69976600 0.62948900 0.63789500 1.0 F F22 1 0.23297400 0.88645300 0.02976400 1.0 F F23 1 0.25290500 0.39220900 0.68911900 1.0 F F24 1 0.24715300 0.60116800 0.52387800 1.0 F F25 1 0.25785000 0.39544700 0.02637700 1.0 F F26 1 0.75223600 0.37823400 0.79913800 1.0 F F27 1 0.73606600 0.39087400 0.46903500 1.0 F F28 1 0.71232500 0.36684500 0.14485100 1.0 F F29 1 0.76057400 0.61615200 0.29992900 1.0 F F30 1 0.74734900 0.87910000 0.80919600 1.0 F F31 1 0.76137200 0.88455500 0.47547200 1.0 F F32 1 0.76198100 0.13198700 0.65033800 1.0 F F33 1 0.74622900 0.11896000 0.97450200 1.0 F F34 1 0.79090500 0.86581400 0.14425800 1.0 F F35 1 0.76494000 0.12350100 0.30784300 1.0