# generated using pymatgen data_LiCuF4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.19683924 _cell_length_b 7.27337836 _cell_length_c 7.43919354 _cell_angle_alpha 89.96466047 _cell_angle_beta 90.02586276 _cell_angle_gamma 90.21597438 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiCuF4 _chemical_formula_sum 'Li8 Cu8 F32' _cell_volume 551.72720386 _cell_formula_units_Z 8 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 0.02049500 0.75018700 0.37413800 1.0 Li Li1 1 0.02999200 0.74992800 0.90112400 1.0 Li Li2 1 0.47004400 0.24974900 0.40064700 1.0 Li Li3 1 0.47946700 0.25002700 0.87455500 1.0 Li Li4 1 0.52046400 0.75011700 0.12562800 1.0 Li Li5 1 0.53000900 0.75052100 0.59919000 1.0 Li Li6 1 0.97008500 0.24991200 0.09907700 1.0 Li Li7 1 0.97947400 0.24946500 0.62569000 1.0 Cu Cu8 1 0.24759800 0.00113100 0.12354600 1.0 Cu Cu9 1 0.24781400 0.49880200 0.12348700 1.0 Cu Cu10 1 0.25216400 0.99873600 0.62350300 1.0 Cu Cu11 1 0.25253300 0.50110600 0.62348900 1.0 Cu Cu12 1 0.74777600 0.00120800 0.37646600 1.0 Cu Cu13 1 0.74766600 0.49882200 0.37649200 1.0 Cu Cu14 1 0.75204200 0.50124600 0.87643400 1.0 Cu Cu15 1 0.75223200 0.99876300 0.87650100 1.0 F F16 1 0.07441500 0.57857900 0.14115200 1.0 F F17 1 0.07398400 0.92096300 0.14139900 1.0 F F18 1 0.08204300 0.57999000 0.60141700 1.0 F F19 1 0.08194300 0.91995300 0.60166700 1.0 F F20 1 0.17275600 0.25066100 0.09283600 1.0 F F21 1 0.18081300 0.25053200 0.65441500 1.0 F F22 1 0.23734500 0.95387200 0.87352200 1.0 F F23 1 0.23743300 0.54615800 0.87378100 1.0 F F24 1 0.26264500 0.04622400 0.37326500 1.0 F F25 1 0.26264800 0.45392400 0.37298100 1.0 F F26 1 0.31912000 0.74938700 0.15435800 1.0 F F27 1 0.32728200 0.74946200 0.59282000 1.0 F F28 1 0.41814200 0.08024300 0.10156900 1.0 F F29 1 0.41760200 0.42036000 0.10184700 1.0 F F30 1 0.42602900 0.07889200 0.64131800 1.0 F F31 1 0.42567800 0.42120000 0.64149500 1.0 F F32 1 0.57429200 0.57882300 0.35857500 1.0 F F33 1 0.57393600 0.92116300 0.35876700 1.0 F F34 1 0.58233500 0.57982100 0.89819600 1.0 F F35 1 0.58197500 0.92001200 0.89839800 1.0 F F36 1 0.67273400 0.25086000 0.40718000 1.0 F F37 1 0.68093500 0.25078000 0.84557300 1.0 F F38 1 0.73742600 0.54604300 0.62695300 1.0 F F39 1 0.73734800 0.95374300 0.62700400 1.0 F F40 1 0.76271200 0.04623500 0.12625700 1.0 F F41 1 0.76255900 0.45392000 0.12634100 1.0 F F42 1 0.81918300 0.74910400 0.34560200 1.0 F F43 1 0.82716300 0.74917300 0.90715600 1.0 F F44 1 0.91816900 0.08003800 0.39834800 1.0 F F45 1 0.91783500 0.42004500 0.39854500 1.0 F F46 1 0.92592800 0.07887300 0.85858600 1.0 F F47 1 0.92574100 0.42124500 0.85871300 1.0