# generated using pymatgen data_Nb9SnSe16 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.01788598 _cell_length_b 7.01788670 _cell_length_c 14.11113195 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000604 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nb9SnSe16 _chemical_formula_sum 'Nb9 Sn1 Se16' _cell_volume 601.87335605 _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 0.00000000 0.00000000 0.26618663 1.0 Nb Nb1 1 0.00000000 0.00000000 0.73381337 1.0 Nb Nb2 1 0.50851351 0.01702801 0.26659965 1.0 Nb Nb3 1 0.49148649 0.98297199 0.73340035 1.0 Nb Nb4 1 0.98297199 0.49148649 0.26659965 1.0 Nb Nb5 1 0.01702801 0.50851351 0.73340035 1.0 Nb Nb6 1 0.50851351 0.49148649 0.26659965 1.0 Nb Nb7 1 0.49148649 0.50851351 0.73340035 1.0 Nb Nb8 1 0.00000000 0.00000000 0.50000000 1.0 Sn Sn9 1 0.00000000 0.00000000 0.00000000 1.0 Se Se10 1 0.33333300 0.66666700 0.61140996 1.0 Se Se11 1 0.66666700 0.33333300 0.38859004 1.0 Se Se12 1 0.66666700 0.33333300 0.14380876 1.0 Se Se13 1 0.33333300 0.66666700 0.85619124 1.0 Se Se14 1 0.16875866 0.33751833 0.14991812 1.0 Se Se15 1 0.83124134 0.66248167 0.85008188 1.0 Se Se16 1 0.66248167 0.83124134 0.14991812 1.0 Se Se17 1 0.83176366 0.66352732 0.61745821 1.0 Se Se18 1 0.33751833 0.16875866 0.85008188 1.0 Se Se19 1 0.16823634 0.33647268 0.38254179 1.0 Se Se20 1 0.16875866 0.83124134 0.14991812 1.0 Se Se21 1 0.33647268 0.16823634 0.61745821 1.0 Se Se22 1 0.83124134 0.16875866 0.85008188 1.0 Se Se23 1 0.66352732 0.83176366 0.38254179 1.0 Se Se24 1 0.83176366 0.16823634 0.61745821 1.0 Se Se25 1 0.16823634 0.83176366 0.38254179 1.0