# generated using pymatgen data_RbNb3CuCl9 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.45572400 _cell_length_b 9.47075796 _cell_length_c 9.47459431 _cell_angle_alpha 119.70891577 _cell_angle_beta 105.57744098 _cell_angle_gamma 95.73010008 _symmetry_Int_Tables_number 1 _chemical_formula_structural RbNb3CuCl9 _chemical_formula_sum 'Rb2 Nb6 Cu2 Cl18' _cell_volume 681.81287195 _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 Rb Rb0 1 0.66540000 0.21402600 0.52474300 1.0 Rb Rb1 1 0.33460000 0.78597400 0.47525700 1.0 Nb Nb2 1 0.86679500 0.55456600 0.10255500 1.0 Nb Nb3 1 0.13794100 0.32621500 0.25056100 1.0 Nb Nb4 1 0.14071900 0.67830000 0.01822500 1.0 Nb Nb5 1 0.13320500 0.44543400 0.89744500 1.0 Nb Nb6 1 0.86205900 0.67378500 0.74943900 1.0 Nb Nb7 1 0.85928100 0.32170000 0.98177500 1.0 Cu Cu8 1 0.36816100 0.13187300 0.81330100 1.0 Cu Cu9 1 0.63183900 0.86812700 0.18669900 1.0 Cl Cl10 1 0.32393000 0.10411600 0.57264900 1.0 Cl Cl11 1 0.33025200 0.90318600 0.04965500 1.0 Cl Cl12 1 0.67181800 0.49477700 0.68084700 1.0 Cl Cl13 1 0.32818200 0.50522300 0.31915300 1.0 Cl Cl14 1 0.69676200 0.61734500 0.23511600 1.0 Cl Cl15 1 0.32124500 0.64575600 0.90194000 1.0 Cl Cl16 1 0.67607000 0.89588400 0.42735100 1.0 Cl Cl17 1 0.00519400 0.35648600 0.41529200 1.0 Cl Cl18 1 0.32049100 0.22890100 0.17646800 1.0 Cl Cl19 1 0.30323800 0.38265500 0.76488400 1.0 Cl Cl20 1 0.99858300 0.08439500 0.27270500 1.0 Cl Cl21 1 0.99046100 0.22585400 0.85714900 1.0 Cl Cl22 1 0.00141700 0.91560500 0.72729500 1.0 Cl Cl23 1 0.67950900 0.77109900 0.82353200 1.0 Cl Cl24 1 0.66974800 0.09681400 0.95034500 1.0 Cl Cl25 1 0.99480600 0.64351400 0.58470800 1.0 Cl Cl26 1 0.00953900 0.77414600 0.14285100 1.0 Cl Cl27 1 0.67875500 0.35424400 0.09806000 1.0