# generated using pymatgen data_LiLaCu5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.06298021 _cell_length_b 8.25926779 _cell_length_c 10.40078066 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiLaCu5 _chemical_formula_sum 'Li4 La4 Cu20' _cell_volume 434.92434159 _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 0.25000000 0.14271480 0.86405953 1.0 Li Li1 1 0.25000000 0.64271480 0.63594047 1.0 Li Li2 1 0.75000000 0.85728520 0.13594047 1.0 Li Li3 1 0.75000000 0.35728520 0.36405953 1.0 La La4 1 0.25000000 0.25820577 0.56332280 1.0 La La5 1 0.25000000 0.75820577 0.93667720 1.0 La La6 1 0.75000000 0.74179423 0.43667720 1.0 La La7 1 0.75000000 0.24179423 0.06332280 1.0 Cu Cu8 1 0.25000000 0.81790812 0.25455941 1.0 Cu Cu9 1 0.25000000 0.31790812 0.24544059 1.0 Cu Cu10 1 0.75000000 0.18209188 0.74544059 1.0 Cu Cu11 1 0.75000000 0.68209188 0.75455941 1.0 Cu Cu12 1 0.25000000 0.55598016 0.38862791 1.0 Cu Cu13 1 0.25000000 0.05598016 0.11137209 1.0 Cu Cu14 1 0.75000000 0.44401984 0.61137209 1.0 Cu Cu15 1 0.75000000 0.94401984 0.88862791 1.0 Cu Cu16 1 0.25000000 0.91224858 0.48506168 1.0 Cu Cu17 1 0.25000000 0.41224858 0.01493832 1.0 Cu Cu18 1 0.75000000 0.08775142 0.51493832 1.0 Cu Cu19 1 0.75000000 0.58775142 0.98506168 1.0 Cu Cu20 1 0.00118758 0.43169975 0.81368405 1.0 Cu Cu21 1 0.49881242 0.93169975 0.68631595 1.0 Cu Cu22 1 0.50118758 0.56830025 0.18631595 1.0 Cu Cu23 1 0.99881242 0.06830025 0.31368405 1.0 Cu Cu24 1 0.99881242 0.56830025 0.18631595 1.0 Cu Cu25 1 0.50118758 0.06830025 0.31368405 1.0 Cu Cu26 1 0.49881242 0.43169975 0.81368405 1.0 Cu Cu27 1 0.00118758 0.93169975 0.68631595 1.0