# generated using pymatgen data_Nd2Nb3Si4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.17207911 _cell_length_b 7.17207911 _cell_length_c 13.29437062 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nd2Nb3Si4 _chemical_formula_sum 'Nd8 Nb12 Si16' _cell_volume 683.84539039 _cell_formula_units_Z 4 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 0.99640929 0.33857997 0.21770738 1.0 Nd Nd1 1 0.00359071 0.66142003 0.71770738 1.0 Nd Nd2 1 0.16142003 0.49640929 0.46770738 1.0 Nd Nd3 1 0.50359071 0.83857997 0.03229262 1.0 Nd Nd4 1 0.83857997 0.50359071 0.96770738 1.0 Nd Nd5 1 0.49640929 0.16142003 0.53229262 1.0 Nd Nd6 1 0.33857997 0.99640929 0.78229262 1.0 Nd Nd7 1 0.66142003 0.00359071 0.28229262 1.0 Nb Nb8 1 0.17154046 0.17154046 0.00000000 1.0 Nb Nb9 1 0.82845954 0.82845954 0.50000000 1.0 Nb Nb10 1 0.32845954 0.67154046 0.25000000 1.0 Nb Nb11 1 0.67154046 0.32845954 0.75000000 1.0 Nb Nb12 1 0.15479181 0.98897793 0.37564571 1.0 Nb Nb13 1 0.84520819 0.01102207 0.87564571 1.0 Nb Nb14 1 0.51102207 0.65479181 0.62564571 1.0 Nb Nb15 1 0.34520819 0.48897793 0.87435429 1.0 Nb Nb16 1 0.48897793 0.34520819 0.12564571 1.0 Nb Nb17 1 0.65479181 0.51102207 0.37435429 1.0 Nb Nb18 1 0.98897793 0.15479181 0.62435429 1.0 Nb Nb19 1 0.01102207 0.84520819 0.12435429 1.0 Si Si20 1 0.29039126 0.04584694 0.18706304 1.0 Si Si21 1 0.70960874 0.95415306 0.68706304 1.0 Si Si22 1 0.45415306 0.79039126 0.43706304 1.0 Si Si23 1 0.20960874 0.54584694 0.06293696 1.0 Si Si24 1 0.54584694 0.20960874 0.93706304 1.0 Si Si25 1 0.79039126 0.45415306 0.56293696 1.0 Si Si26 1 0.04584694 0.29039126 0.81293696 1.0 Si Si27 1 0.95415306 0.70960874 0.31293696 1.0 Si Si28 1 0.37046287 0.29757000 0.31373954 1.0 Si Si29 1 0.62953713 0.70243000 0.81373954 1.0 Si Si30 1 0.20243000 0.87046287 0.56373954 1.0 Si Si31 1 0.12953713 0.79757000 0.93626046 1.0 Si Si32 1 0.79757000 0.12953713 0.06373954 1.0 Si Si33 1 0.87046287 0.20243000 0.43626046 1.0 Si Si34 1 0.29757000 0.37046287 0.68626046 1.0 Si Si35 1 0.70243000 0.62953713 0.18626046 1.0