# generated using pymatgen data_Nb18Al5Cu3Si2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.11876456 _cell_length_b 9.83401994 _cell_length_c 9.84225270 _cell_angle_alpha 86.16430374 _cell_angle_beta 75.20010048 _cell_angle_gamma 74.89619199 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nb18Al5Cu3Si2 _chemical_formula_sum 'Nb18 Al5 Cu3 Si2' _cell_volume 462.45581989 _cell_formula_units_Z 1 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 Nb Nb0 1 0.74884882 0.49922102 0.49985291 1.0 Nb Nb1 1 0.25115118 0.50077898 0.50014709 1.0 Nb Nb2 1 0.79423931 0.77412970 0.64168932 1.0 Nb Nb3 1 0.20576069 0.22587030 0.35831068 1.0 Nb Nb4 1 0.70407000 0.35699134 0.22884674 1.0 Nb Nb5 1 0.29593000 0.64300866 0.77115326 1.0 Nb Nb6 1 0.56191650 0.64291568 0.22866856 1.0 Nb Nb7 1 0.43808350 0.35708432 0.77133144 1.0 Nb Nb8 1 0.06720279 0.22562711 0.64193323 1.0 Nb Nb9 1 0.93279721 0.77437289 0.35806677 1.0 Nb Nb10 1 0.58044135 0.07390277 0.76098237 1.0 Nb Nb11 1 0.41955865 0.92609723 0.23901763 1.0 Nb Nb12 1 0.91946995 0.23736754 0.92441195 1.0 Nb Nb13 1 0.08053005 0.76263246 0.07558805 1.0 Nb Nb14 1 0.65678881 0.76272956 0.92418646 1.0 Nb Nb15 1 0.34321119 0.23727044 0.07581354 1.0 Nb Nb16 1 0.15431442 0.92580929 0.76117549 1.0 Nb Nb17 1 0.84568558 0.07419071 0.23882451 1.0 Al Al18 1 0.50000000 0.50000000 0.00000000 1.0 Al Al19 1 0.12293364 0.50005107 0.23851517 1.0 Al Al20 1 0.87706636 0.49994893 0.76148483 1.0 Al Al21 1 0.36626142 0.76861261 0.49999903 1.0 Al Al22 1 0.63373858 0.23138739 0.50000097 1.0 Cu Cu23 1 0.50000000 0.00000000 0.50000000 1.0 Cu Cu24 1 0.00000000 0.00000000 0.50000000 1.0 Cu Cu25 1 0.00000000 0.50000000 0.00000000 1.0 Si Si26 1 0.24998889 0.00004682 0.99997921 1.0 Si Si27 1 0.75001111 0.99995318 0.00002079 1.0