# generated using pymatgen data_Nb3RhSe6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.05631571 _cell_length_b 6.05631571 _cell_length_c 12.62234424 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000010 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nb3RhSe6 _chemical_formula_sum 'Nb6 Rh2 Se12' _cell_volume 400.94764247 _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 Nb Nb0 1 0.00000000 0.00000000 0.50000000 1.0 Nb Nb1 1 0.00000000 0.00000000 -0.00000000 1.0 Nb Nb2 1 0.33333300 0.66666700 -0.00077771 1.0 Nb Nb3 1 0.66666700 0.33333300 0.00077771 1.0 Nb Nb4 1 0.66666700 0.33333300 0.49922229 1.0 Nb Nb5 1 0.33333300 0.66666700 0.50077771 1.0 Rh Rh6 1 0.33333300 0.66666700 0.25000000 1.0 Rh Rh7 1 0.66666700 0.33333300 0.75000000 1.0 Se Se8 1 0.33344426 0.32837337 0.36774230 1.0 Se Se9 1 0.67162663 0.00507189 0.36774230 1.0 Se Se10 1 0.99492811 0.66655574 0.36774230 1.0 Se Se11 1 0.32837337 0.33344426 0.63225770 1.0 Se Se12 1 0.00507189 0.67162663 0.63225770 1.0 Se Se13 1 0.66655574 0.99492811 0.63225770 1.0 Se Se14 1 0.66655574 0.67162663 0.86774230 1.0 Se Se15 1 0.32837337 0.99492811 0.86774230 1.0 Se Se16 1 0.00507189 0.33344426 0.86774230 1.0 Se Se17 1 0.67162663 0.66655574 0.13225770 1.0 Se Se18 1 0.99492811 0.32837337 0.13225770 1.0 Se Se19 1 0.33344426 0.00507189 0.13225770 1.0