# generated using pymatgen data_LiMn2OF5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.55189305 _cell_length_b 17.04129944 _cell_length_c 4.90363417 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiMn2OF5 _chemical_formula_sum 'Li4 Mn8 O4 F20' _cell_volume 380.37574836 _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 Li Li0 1 0.01652316 0.38326132 0.24406120 1.0 Li Li1 1 0.01652316 0.61673868 0.74406120 1.0 Li Li2 1 0.48347684 0.88326132 0.24406120 1.0 Li Li3 1 0.48347684 0.11673868 0.74406120 1.0 Mn Mn4 1 0.03063873 0.27882156 0.75705826 1.0 Mn Mn5 1 0.98488030 0.05562738 0.24804298 1.0 Mn Mn6 1 0.03063873 0.72117844 0.25705826 1.0 Mn Mn7 1 0.98488030 0.94437262 0.74804298 1.0 Mn Mn8 1 0.51511970 0.55562738 0.24804298 1.0 Mn Mn9 1 0.46936127 0.77882156 0.75705826 1.0 Mn Mn10 1 0.51511970 0.44437262 0.74804298 1.0 Mn Mn11 1 0.46936127 0.22117844 0.25705826 1.0 O O12 1 0.24908223 0.28984639 0.06939080 1.0 O O13 1 0.24908223 0.71015361 0.56939080 1.0 O O14 1 0.25091777 0.21015361 0.56939080 1.0 O O15 1 0.25091777 0.78984639 0.06939080 1.0 F F16 1 0.23481655 0.63100138 0.08403606 1.0 F F17 1 0.23481655 0.36899862 0.58403606 1.0 F F18 1 0.21745371 0.03992350 0.57300533 1.0 F F19 1 0.21745371 0.96007650 0.07300533 1.0 F F20 1 0.28254629 0.46007650 0.07300533 1.0 F F21 1 0.28254629 0.53992350 0.57300533 1.0 F F22 1 0.26518345 0.86899862 0.58403606 1.0 F F23 1 0.26518345 0.13100138 0.08403606 1.0 F F24 1 0.74251557 0.79116864 0.44168358 1.0 F F25 1 0.74251557 0.20883136 0.94168358 1.0 F F26 1 0.70739585 0.86586029 0.91529511 1.0 F F27 1 0.70739585 0.13413971 0.41529511 1.0 F F28 1 0.74042573 0.46110342 0.41742467 1.0 F F29 1 0.74042573 0.53889658 0.91742467 1.0 F F30 1 0.75957427 0.03889658 0.91742467 1.0 F F31 1 0.75957427 0.96110342 0.41742467 1.0 F F32 1 0.79260415 0.36586029 0.91529511 1.0 F F33 1 0.79260415 0.63413971 0.41529511 1.0 F F34 1 0.75748443 0.29116864 0.44168358 1.0 F F35 1 0.75748443 0.70883136 0.94168358 1.0