# generated using pymatgen data_LiCuF4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.76505902 _cell_length_b 7.69383405 _cell_length_c 5.12850755 _cell_angle_alpha 89.98764709 _cell_angle_beta 90.02828322 _cell_angle_gamma 75.83342184 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiCuF4 _chemical_formula_sum 'Li2 Cu2 F8' _cell_volume 144.04323936 _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 Li Li0 1 0.18874600 0.62135800 0.53943400 1.0 Li Li1 1 0.81066000 0.37866500 0.03959300 1.0 Cu Cu2 1 0.40952200 0.18081100 0.52974600 1.0 Cu Cu3 1 0.59042200 0.81936100 0.03018400 1.0 F F4 1 0.34197900 0.31541300 0.21894700 1.0 F F5 1 0.47766000 0.04461600 0.84352700 1.0 F F6 1 0.09313100 0.81383400 0.03135100 1.0 F F7 1 0.30207400 0.39628600 0.72967800 1.0 F F8 1 0.52249100 0.95531600 0.34354500 1.0 F F9 1 0.90699200 0.18611500 0.53113500 1.0 F F10 1 0.69856400 0.60371800 0.23007100 1.0 F F11 1 0.65775900 0.68450800 0.71898700 1.0