# generated using pymatgen data_Mn2OF3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.80770492 _cell_length_b 5.80770492 _cell_length_c 9.47971115 _cell_angle_alpha 86.32839342 _cell_angle_beta 86.32839342 _cell_angle_gamma 72.11314843 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn2OF3 _chemical_formula_sum 'Mn8 O4 F12' _cell_volume 303.33425596 _cell_formula_units_Z 4 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 0.64619000 0.64619000 0.88483300 1.0 Mn Mn1 1 0.88585600 0.88585600 0.60824500 1.0 Mn Mn2 1 0.25449700 0.25449700 0.76293200 1.0 Mn Mn3 1 0.50000000 0.50000000 0.50000000 1.0 Mn Mn4 1 0.74550300 0.74550300 0.23706800 1.0 Mn Mn5 1 0.11414400 0.11414400 0.39175500 1.0 Mn Mn6 1 0.35381000 0.35381000 0.11516700 1.0 Mn Mn7 1 0.00000000 0.00000000 0.00000000 1.0 O O8 1 0.81193500 0.18806500 0.50000000 1.0 O O9 1 0.20570900 0.20570900 0.97243200 1.0 O O10 1 0.79429100 0.79429100 0.02756800 1.0 O O11 1 0.18806500 0.81193500 0.50000000 1.0 F F12 1 0.95286200 0.57549700 0.73260500 1.0 F F13 1 0.57549700 0.95286200 0.73260500 1.0 F F14 1 0.72167800 0.72167800 0.45807900 1.0 F F15 1 0.48305900 0.48305900 0.73444600 1.0 F F16 1 0.97667300 0.97667300 0.21864100 1.0 F F17 1 0.02332700 0.02332700 0.78135900 1.0 F F18 1 0.51694100 0.51694100 0.26555400 1.0 F F19 1 0.27832200 0.27832200 0.54192100 1.0 F F20 1 0.69376000 0.30624000 0.00000000 1.0 F F21 1 0.42450300 0.04713800 0.26739500 1.0 F F22 1 0.30624000 0.69376000 0.00000000 1.0 F F23 1 0.04713800 0.42450300 0.26739500 1.0