# generated using pymatgen data_Mn3OF8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.22617300 _cell_length_b 5.10600783 _cell_length_c 13.43074468 _cell_angle_alpha 87.93444097 _cell_angle_beta 90.00000000 _cell_angle_gamma 59.21840347 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn3OF8 _chemical_formula_sum 'Mn6 O2 F16' _cell_volume 307.63718900 _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 0.00765800 0.98221200 0.00481500 1.0 Mn Mn1 1 0.01013100 0.98221200 0.50481500 1.0 Mn Mn2 1 0.32406800 0.35129700 0.66184000 1.0 Mn Mn3 1 0.32463500 0.35129700 0.16184000 1.0 Mn Mn4 1 0.66510700 0.66628800 0.83328900 1.0 Mn Mn5 1 0.66860400 0.66628800 0.33328900 1.0 O O6 1 0.04440500 0.66900900 0.08446000 1.0 O O7 1 0.28658600 0.66900900 0.58446000 1.0 F F8 1 0.06091800 0.27758600 0.58130500 1.0 F F9 1 0.00722200 0.39967600 0.25172200 1.0 F F10 1 0.27091800 0.06046200 0.08456100 1.0 F F11 1 0.39500800 0.99981600 0.75109500 1.0 F F12 1 0.60517700 0.99981600 0.25109500 1.0 F F13 1 0.66862000 0.06046200 0.58456100 1.0 F F14 1 0.33554500 0.72822900 0.92002400 1.0 F F15 1 0.40153500 0.60370100 0.24647400 1.0 F F16 1 0.59310200 0.39967600 0.75172200 1.0 F F17 1 0.66149800 0.27758600 0.08130500 1.0 F F18 1 0.33190300 0.93010100 0.41558000 1.0 F F19 1 0.73240000 0.33162500 0.41483400 1.0 F F20 1 0.93597500 0.33162500 0.91483400 1.0 F F21 1 0.73799700 0.93010100 0.91558000 1.0 F F22 1 0.99476400 0.60370100 0.74647400 1.0 F F23 1 0.93622600 0.72822900 0.42002400 1.0