# generated using pymatgen data_NdTh3(TcC2)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.37771602 _cell_length_b 6.65336019 _cell_length_c 10.08779614 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NdTh3(TcC2)2 _chemical_formula_sum 'Nd2 Th6 Tc4 C8' _cell_volume 360.94015219 _cell_formula_units_Z 2 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 0.25000000 0.30826483 0.45070097 1.0 Nd Nd1 1 0.75000000 0.19173517 0.95070097 1.0 Th Th2 1 0.25000000 0.47422523 0.78043343 1.0 Th Th3 1 0.75000000 0.02577477 0.28043343 1.0 Th Th4 1 0.25000000 0.97886791 0.72175128 1.0 Th Th5 1 0.75000000 0.52113209 0.22175128 1.0 Th Th6 1 0.25000000 0.81130091 0.04672960 1.0 Th Th7 1 0.75000000 0.68869909 0.54672960 1.0 Tc Tc8 1 0.25000000 0.27081995 0.13897938 1.0 Tc Tc9 1 0.75000000 0.22918005 0.63897938 1.0 Tc Tc10 1 0.25000000 0.76930545 0.36099115 1.0 Tc Tc11 1 0.75000000 0.73069455 0.86099115 1.0 C C12 1 0.25000000 0.67821744 0.55139271 1.0 C C13 1 0.75000000 0.82178256 0.05139271 1.0 C C14 1 0.25000000 0.17203069 0.95113916 1.0 C C15 1 0.75000000 0.32796931 0.45113916 1.0 C C16 1 0.25000000 0.03174579 0.25582142 1.0 C C17 1 0.75000000 0.46825421 0.75582142 1.0 C C18 1 0.25000000 0.53309082 0.24205990 1.0 C C19 1 0.75000000 0.96690918 0.74205990 1.0