# generated using pymatgen data_YbTh8Se17 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.51494097 _cell_length_b 8.51494010 _cell_length_c 11.46922049 _cell_angle_alpha 80.03603143 _cell_angle_beta 80.03603465 _cell_angle_gamma 64.21394837 _symmetry_Int_Tables_number 1 _chemical_formula_structural YbTh8Se17 _chemical_formula_sum 'Yb1 Th8 Se17' _cell_volume 732.97522221 _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 0.00000000 1.0 Th Th1 1 0.18668324 0.69786781 0.70104309 1.0 Th Th2 1 0.69786781 0.18668324 0.70104309 1.0 Th Th3 1 0.81331676 0.30213219 0.29895691 1.0 Th Th4 1 0.30213219 0.81331676 0.29895691 1.0 Th Th5 1 0.79508974 0.79508974 0.45865487 1.0 Th Th6 1 0.20491026 0.20491026 0.54134513 1.0 Th Th7 1 0.31596412 0.31596412 0.02170261 1.0 Th Th8 1 0.68403588 0.68403588 0.97829739 1.0 Se Se9 1 0.17782371 0.56852256 0.46994412 1.0 Se Se10 1 0.56852256 0.17782371 0.46994412 1.0 Se Se11 1 0.82217629 0.43147744 0.53005588 1.0 Se Se12 1 0.43147744 0.82217629 0.53005588 1.0 Se Se13 1 0.05845910 0.66502891 0.95609058 1.0 Se Se14 1 0.66502891 0.05845910 0.95609058 1.0 Se Se15 1 0.94154090 0.33497109 0.04390942 1.0 Se Se16 1 0.33497109 0.94154090 0.04390942 1.0 Se Se17 1 0.79081127 0.79081127 0.71900280 1.0 Se Se18 1 0.20918873 0.20918873 0.28099720 1.0 Se Se19 1 0.93733749 0.93733749 0.23899885 1.0 Se Se20 1 0.06266251 0.06266251 0.76100115 1.0 Se Se21 1 0.69503183 0.69503183 0.24834160 1.0 Se Se22 1 0.30496817 0.30496817 0.75165840 1.0 Se Se23 1 0.47861403 0.47861403 0.16757893 1.0 Se Se24 1 0.52138597 0.52138597 0.83242107 1.0 Se Se25 1 0.00000000 0.00000000 0.50000000 1.0