# generated using pymatgen data_Rb2NbCuS2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.36711500 _cell_length_b 6.11152231 _cell_length_c 22.57035617 _cell_angle_alpha 84.35488607 _cell_angle_beta 80.60712003 _cell_angle_gamma 52.93479735 _symmetry_Int_Tables_number 1 _chemical_formula_structural Rb2NbCuS2 _chemical_formula_sum 'Rb8 Nb4 Cu4 S8' _cell_volume 800.01623227 _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 Rb Rb0 1 0.85991400 0.12398900 0.60890500 1.0 Rb Rb1 1 0.53118100 0.87601100 0.60890500 1.0 Rb Rb2 1 0.01609700 0.12398900 0.39109500 1.0 Rb Rb3 1 0.89008600 0.37601100 0.89109500 1.0 Rb Rb4 1 0.59280800 0.87601100 0.39109500 1.0 Rb Rb5 1 0.21881900 0.62398900 0.89109500 1.0 Rb Rb6 1 0.73390300 0.37601100 0.10890600 1.0 Rb Rb7 1 0.15719200 0.62398900 0.10890600 1.0 Nb Nb8 1 0.37500000 0.25000000 0.25000000 1.0 Nb Nb9 1 0.37500000 0.75000000 0.25000000 1.0 Nb Nb10 1 0.37500000 0.25000000 0.75000000 1.0 Nb Nb11 1 0.87500000 0.75000000 0.75000000 1.0 Cu Cu12 1 0.87500000 0.25000000 0.25000000 1.0 Cu Cu13 1 0.87500000 0.75000000 0.25000000 1.0 Cu Cu14 1 0.87500000 0.25000000 0.75000000 1.0 Cu Cu15 1 0.37500000 0.75000000 0.75000000 1.0 S S16 1 0.15903600 0.14000700 0.18286700 1.0 S S17 1 0.65809700 0.85999300 0.18286700 1.0 S S18 1 0.70095600 0.14000700 0.81713300 1.0 S S19 1 0.59096400 0.35999300 0.31713300 1.0 S S20 1 0.48191000 0.85999300 0.81713300 1.0 S S21 1 0.09190300 0.64000700 0.31713300 1.0 S S22 1 0.04904400 0.35999300 0.68286700 1.0 S S23 1 0.26809000 0.64000700 0.68286700 1.0