# generated using pymatgen data_Nd4ReRuC4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.36074323 _cell_length_b 6.61903786 _cell_length_c 10.21156470 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nd4ReRuC4 _chemical_formula_sum 'Nd8 Re2 Ru2 C8' _cell_volume 362.33656646 _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 0.47291636 0.78608892 1.0 Nd Nd1 1 0.75000000 0.02708364 0.28608892 1.0 Nd Nd2 1 0.25000000 0.97598740 0.71259084 1.0 Nd Nd3 1 0.75000000 0.52401260 0.21259084 1.0 Nd Nd4 1 0.25000000 0.81221342 0.05015245 1.0 Nd Nd5 1 0.75000000 0.68778658 0.55015245 1.0 Nd Nd6 1 0.25000000 0.30836872 0.44734442 1.0 Nd Nd7 1 0.75000000 0.19163128 0.94734442 1.0 Re Re8 1 0.25000000 0.77038300 0.35717519 1.0 Re Re9 1 0.75000000 0.72961700 0.85717519 1.0 Ru Ru10 1 0.25000000 0.26935416 0.14173284 1.0 Ru Ru11 1 0.75000000 0.23064584 0.64173284 1.0 C C12 1 0.25000000 0.69009932 0.53760214 1.0 C C13 1 0.75000000 0.80990068 0.03760214 1.0 C C14 1 0.25000000 0.18907399 0.96451454 1.0 C C15 1 0.75000000 0.31092601 0.46451454 1.0 C C16 1 0.25000000 0.03310686 0.25844761 1.0 C C17 1 0.75000000 0.46689314 0.75844761 1.0 C C18 1 0.25000000 0.53385616 0.24435104 1.0 C C19 1 0.75000000 0.96614384 0.74435104 1.0