# generated using pymatgen data_YbNb8NiSe16 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.00074186 _cell_length_b 7.00074164 _cell_length_c 13.60719744 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00001057 _symmetry_Int_Tables_number 1 _chemical_formula_structural YbNb8NiSe16 _chemical_formula_sum 'Yb1 Nb8 Ni1 Se16' _cell_volume 577.54707200 _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 Yb Yb0 1 0.00000000 0.00000000 0.50000000 1.0 Nb Nb1 1 0.00000000 0.00000000 0.23051891 1.0 Nb Nb2 1 0.00000000 0.00000000 0.76948109 1.0 Nb Nb3 1 0.50984344 0.01968589 0.22933053 1.0 Nb Nb4 1 0.98031411 0.49015656 0.22933053 1.0 Nb Nb5 1 0.50984344 0.49015656 0.22933053 1.0 Nb Nb6 1 0.49015656 0.98031411 0.77066947 1.0 Nb Nb7 1 0.01968589 0.50984344 0.77066947 1.0 Nb Nb8 1 0.49015656 0.50984344 0.77066947 1.0 Ni Ni9 1 0.00000000 0.00000000 0.00000000 1.0 Se Se10 1 0.33333300 0.66666700 0.89761477 1.0 Se Se11 1 0.66666700 0.33333300 0.10238523 1.0 Se Se12 1 0.66666700 0.33333300 0.35879423 1.0 Se Se13 1 0.33333300 0.66666700 0.64120577 1.0 Se Se14 1 0.16877613 0.83122387 0.35071747 1.0 Se Se15 1 0.16877613 0.33755226 0.35071747 1.0 Se Se16 1 0.66244774 0.83122387 0.35071747 1.0 Se Se17 1 0.83122387 0.16877613 0.64928253 1.0 Se Se18 1 0.83122387 0.66244774 0.64928253 1.0 Se Se19 1 0.33755226 0.16877613 0.64928253 1.0 Se Se20 1 0.83213293 0.16786707 0.89061580 1.0 Se Se21 1 0.83213293 0.66426586 0.89061580 1.0 Se Se22 1 0.33573414 0.16786707 0.89061580 1.0 Se Se23 1 0.16786707 0.83213293 0.10938420 1.0 Se Se24 1 0.16786707 0.33573414 0.10938420 1.0 Se Se25 1 0.66426586 0.83213293 0.10938420 1.0