# generated using pymatgen data_NdThZn17 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.76427020 _cell_length_b 6.76426976 _cell_length_c 6.76426976 _cell_angle_alpha 82.88965799 _cell_angle_beta 97.11032396 _cell_angle_gamma 97.11034756 _symmetry_Int_Tables_number 1 _chemical_formula_structural NdThZn17 _chemical_formula_sum 'Nd1 Th1 Zn17' _cell_volume 302.90510377 _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 Nd Nd0 1 0.66391557 0.33608443 0.33608443 1.0 Th Th1 1 0.33662360 0.66337640 0.66337640 1.0 Zn Zn2 1 0.50006465 0.99996029 0.99996029 1.0 Zn Zn3 1 0.29127459 0.29084927 0.00088123 1.0 Zn Zn4 1 0.70914973 0.70872541 0.00088123 1.0 Zn Zn5 1 0.00003971 0.49993635 0.99996129 1.0 Zn Zn6 1 0.90138247 0.09861753 0.09861853 1.0 Zn Zn7 1 0.34930459 0.65069541 0.16020734 1.0 Zn Zn8 1 0.99911877 0.70872541 0.29085027 1.0 Zn Zn9 1 0.29127459 0.00088123 0.29085027 1.0 Zn Zn10 1 0.16047516 0.34942776 0.34942876 1.0 Zn Zn11 1 0.65057224 0.83952484 0.34942876 1.0 Zn Zn12 1 0.00003971 0.99996029 0.49993735 1.0 Zn Zn13 1 0.83979166 0.65069541 0.65069541 1.0 Zn Zn14 1 0.34930459 0.16020634 0.65069641 1.0 Zn Zn15 1 0.99911877 0.29084927 0.70872541 1.0 Zn Zn16 1 0.70915073 0.00088123 0.70872641 1.0 Zn Zn17 1 0.65057124 0.34942776 0.83952384 1.0 Zn Zn18 1 0.09883263 0.90116737 0.90116837 1.0