# generated using pymatgen data_LiCuF4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.89197800 _cell_length_b 6.80210166 _cell_length_c 7.95225424 _cell_angle_alpha 101.32981884 _cell_angle_beta 98.98120447 _cell_angle_gamma 105.80889496 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiCuF4 _chemical_formula_sum 'Li6 Cu6 F24' _cell_volume 492.18567163 _cell_formula_units_Z 6 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 0.81256700 0.10604700 0.49953500 1.0 Li Li1 1 0.52570100 0.26162900 0.99521700 1.0 Li Li2 1 0.07585300 0.34315100 0.15478600 1.0 Li Li3 1 0.92414700 0.65684900 0.84521400 1.0 Li Li4 1 0.47429900 0.73837100 0.00478300 1.0 Li Li5 1 0.18743300 0.89395300 0.50046500 1.0 Cu Cu6 1 0.19610500 0.00245600 0.05152500 1.0 Cu Cu7 1 0.40190000 0.24250100 0.46565000 1.0 Cu Cu8 1 0.19775900 0.41632800 0.74266100 1.0 Cu Cu9 1 0.80224100 0.58367200 0.25733900 1.0 Cu Cu10 1 0.59810000 0.75749900 0.53435000 1.0 Cu Cu11 1 0.80389500 0.99754400 0.94847500 1.0 F F12 1 0.21648900 0.00711100 0.78521200 1.0 F F13 1 0.66361000 0.12932200 0.94425100 1.0 F F14 1 0.20006200 0.02911600 0.34204200 1.0 F F15 1 0.59376800 0.17966300 0.52865000 1.0 F F16 1 0.37761200 0.28078300 0.73434700 1.0 F F17 1 0.39067100 0.18458600 0.18071900 1.0 F F18 1 0.02513100 0.13666200 0.04897300 1.0 F F19 1 0.00445500 0.26080200 0.65121600 1.0 F F20 1 0.23312600 0.34785900 0.42902500 1.0 F F21 1 0.93447000 0.44877900 0.27685900 1.0 F F22 1 0.78175800 0.56596500 0.97488400 1.0 F F23 1 0.59853700 0.44043800 0.19739500 1.0 F F24 1 0.40146300 0.55956200 0.80260500 1.0 F F25 1 0.21824200 0.43403500 0.02511600 1.0 F F26 1 0.06553000 0.55122100 0.72314100 1.0 F F27 1 0.76687400 0.65214100 0.57097500 1.0 F F28 1 0.99554500 0.73919800 0.34878400 1.0 F F29 1 0.97486900 0.86333800 0.95102700 1.0 F F30 1 0.60932900 0.81541400 0.81928100 1.0 F F31 1 0.62238800 0.71921700 0.26565300 1.0 F F32 1 0.40623200 0.82033700 0.47135000 1.0 F F33 1 0.79993800 0.97088400 0.65795800 1.0 F F34 1 0.33639000 0.87067800 0.05574900 1.0 F F35 1 0.78351100 0.99288900 0.21478800 1.0