# generated using pymatgen data_Nd2ThBi3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.60639019 _cell_length_b 4.60639036 _cell_length_c 11.24763478 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000588 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nd2ThBi3 _chemical_formula_sum 'Nd2 Th1 Bi3' _cell_volume 206.68705283 _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 0.33333300 0.66666700 0.66314354 1.0 Nd Nd1 1 0.66666700 0.33333300 0.33685646 1.0 Th Th2 1 0.00000000 0.00000000 0.00000000 1.0 Bi Bi3 1 0.33333300 0.66666700 0.16626771 1.0 Bi Bi4 1 0.66666700 0.33333300 0.83373229 1.0 Bi Bi5 1 0.00000000 0.00000000 0.50000000 1.0