# generated using pymatgen data_Nb8VPdSe16 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.00069589 _cell_length_b 7.00069624 _cell_length_c 12.91961243 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000309 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nb8VPdSe16 _chemical_formula_sum 'Nb8 V1 Pd1 Se16' _cell_volume 548.35593690 _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 0.25075556 1.0 Nb Nb1 1 0.00000000 0.00000000 0.74924444 1.0 Nb Nb2 1 0.50995227 0.01990454 0.25094176 1.0 Nb Nb3 1 0.49004773 0.98009546 0.74905824 1.0 Nb Nb4 1 0.98009546 0.49004773 0.25094176 1.0 Nb Nb5 1 0.01990454 0.50995227 0.74905824 1.0 Nb Nb6 1 0.50995227 0.49004773 0.25094176 1.0 Nb Nb7 1 0.49004773 0.50995227 0.74905824 1.0 V V8 1 0.00000000 0.00000000 0.50000000 1.0 Pd Pd9 1 0.00000000 0.00000000 0.00000000 1.0 Se Se10 1 0.33333300 0.66666700 0.61300263 1.0 Se Se11 1 0.66666700 0.33333300 0.38699737 1.0 Se Se12 1 0.66666700 0.33333300 0.11632118 1.0 Se Se13 1 0.33333300 0.66666700 0.88367882 1.0 Se Se14 1 0.17001269 0.34002638 0.12444074 1.0 Se Se15 1 0.82998731 0.65997362 0.87555926 1.0 Se Se16 1 0.65997362 0.82998731 0.12444074 1.0 Se Se17 1 0.83322187 0.66644375 0.62191870 1.0 Se Se18 1 0.34002638 0.17001269 0.87555926 1.0 Se Se19 1 0.16677813 0.33355625 0.37808130 1.0 Se Se20 1 0.17001269 0.82998731 0.12444074 1.0 Se Se21 1 0.33355625 0.16677813 0.62191870 1.0 Se Se22 1 0.82998731 0.17001269 0.87555926 1.0 Se Se23 1 0.66644375 0.83322187 0.37808130 1.0 Se Se24 1 0.83322187 0.16677813 0.62191870 1.0 Se Se25 1 0.16677813 0.83322187 0.37808130 1.0