# generated using pymatgen data_NdInCu5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.01616949 _cell_length_b 5.01616997 _cell_length_c 20.22877932 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999682 _symmetry_Int_Tables_number 1 _chemical_formula_structural NdInCu5 _chemical_formula_sum 'Nd4 In4 Cu20' _cell_volume 440.80323032 _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 0.33333300 0.66666700 0.75000000 1.0 Nd Nd1 1 0.66666700 0.33333300 0.25000000 1.0 Nd Nd2 1 0.00000000 0.00000000 0.00000000 1.0 Nd Nd3 1 0.00000000 0.00000000 0.50000000 1.0 In In4 1 0.33333300 0.66666700 0.58413214 1.0 In In5 1 0.66666700 0.33333300 0.41586786 1.0 In In6 1 0.66666700 0.33333300 0.08413214 1.0 In In7 1 0.33333300 0.66666700 0.91586786 1.0 Cu Cu8 1 0.33333300 0.66666700 0.04778445 1.0 Cu Cu9 1 0.66666700 0.33333300 0.95221555 1.0 Cu Cu10 1 0.66666700 0.33333300 0.54778445 1.0 Cu Cu11 1 0.33333300 0.66666700 0.45221555 1.0 Cu Cu12 1 0.00000000 0.00000000 0.25000000 1.0 Cu Cu13 1 0.00000000 0.00000000 0.75000000 1.0 Cu Cu14 1 0.33333300 0.66666700 0.25000000 1.0 Cu Cu15 1 0.66666700 0.33333300 0.75000000 1.0 Cu Cu16 1 0.16594375 0.33188750 0.14798651 1.0 Cu Cu17 1 0.83405625 0.66811250 0.85201349 1.0 Cu Cu18 1 0.66811250 0.83405625 0.14798651 1.0 Cu Cu19 1 0.83405625 0.66811250 0.64798651 1.0 Cu Cu20 1 0.33188750 0.16594375 0.85201349 1.0 Cu Cu21 1 0.16594375 0.33188750 0.35201349 1.0 Cu Cu22 1 0.16594375 0.83405625 0.14798651 1.0 Cu Cu23 1 0.33188750 0.16594375 0.64798651 1.0 Cu Cu24 1 0.83405625 0.16594375 0.85201349 1.0 Cu Cu25 1 0.66811250 0.83405625 0.35201349 1.0 Cu Cu26 1 0.83405625 0.16594375 0.64798651 1.0 Cu Cu27 1 0.16594375 0.83405625 0.35201349 1.0