# generated using pymatgen data_Nb6CdSe8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.46962300 _cell_length_b 10.22456404 _cell_length_c 10.22374988 _cell_angle_alpha 59.98614110 _cell_angle_beta 90.00143167 _cell_angle_gamma 90.00053851 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nb6CdSe8 _chemical_formula_sum 'Nb6 Cd1 Se8' _cell_volume 314.05612542 _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 0.74981000 0.37988600 0.51299500 1.0 Nb Nb1 1 0.74984200 0.10709100 0.37990400 1.0 Nb Nb2 1 0.74981800 0.51303000 0.10710900 1.0 Nb Nb3 1 0.25019000 0.62011400 0.48700500 1.0 Nb Nb4 1 0.25015800 0.89290900 0.62009600 1.0 Nb Nb5 1 0.25018200 0.48697000 0.89289100 1.0 Cd Cd6 1 0.50000000 0.00000000 0.00000000 1.0 Se Se7 1 0.75026200 0.06240200 0.65716700 1.0 Se Se8 1 0.75027400 0.28055900 0.06236000 1.0 Se Se9 1 0.75024100 0.65720400 0.28049000 1.0 Se Se10 1 0.24973800 0.93759800 0.34283300 1.0 Se Se11 1 0.24972600 0.71944100 0.93764000 1.0 Se Se12 1 0.24975900 0.34279600 0.71951000 1.0 Se Se13 1 0.75041400 0.66667800 0.66672500 1.0 Se Se14 1 0.24958600 0.33332200 0.33327500 1.0