# generated using pymatgen data_NbRh3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.49440441 _cell_length_b 5.49440441 _cell_length_c 13.40002064 _cell_angle_alpha 89.99999853 _cell_angle_beta 90.00000147 _cell_angle_gamma 120.00001582 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbRh3 _chemical_formula_sum 'Nb6 Rh18' _cell_volume 350.32995594 _cell_formula_units_Z 6 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 0.00000016 -0.00000016 0.75000527 1.0 Nb Nb1 1 -0.00000012 0.00000012 0.24999573 1.0 Nb Nb2 1 0.66667783 0.33332217 0.58909757 1.0 Nb Nb3 1 0.33332225 0.66667775 0.41090536 1.0 Nb Nb4 1 0.33332224 0.66667776 0.08908978 1.0 Nb Nb5 1 0.66667776 0.33332224 0.91090730 1.0 Rh Rh6 1 0.49538146 0.99075838 0.75001123 1.0 Rh Rh7 1 0.49538620 0.50461380 0.75001121 1.0 Rh Rh8 1 0.00924262 0.50461854 0.75001123 1.0 Rh Rh9 1 0.50461964 0.00924393 0.24998997 1.0 Rh Rh10 1 0.50461412 0.49538588 0.24999000 1.0 Rh Rh11 1 0.99075607 0.49538036 0.24998997 1.0 Rh Rh12 1 0.83401198 0.16598802 0.08249846 1.0 Rh Rh13 1 0.33196777 0.16599222 0.08250125 1.0 Rh Rh14 1 0.83400778 0.66803223 0.08250125 1.0 Rh Rh15 1 0.16598803 0.83401197 0.91749163 1.0 Rh Rh16 1 0.66803249 0.83400809 0.91748899 1.0 Rh Rh17 1 0.16599191 0.33196751 0.91748899 1.0 Rh Rh18 1 0.16598829 0.83401171 0.58251911 1.0 Rh Rh19 1 0.66803208 0.83400710 0.58252091 1.0 Rh Rh20 1 0.16599290 0.33196792 0.58252091 1.0 Rh Rh21 1 0.83401174 0.16598826 0.41748962 1.0 Rh Rh22 1 0.33196931 0.16599252 0.41748762 1.0 Rh Rh23 1 0.83400748 0.66803069 0.41748762 1.0