# generated using pymatgen data_NdIn2CuIr8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.73677775 _cell_length_b 8.73677775 _cell_length_c 5.22726174 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NdIn2CuIr8 _chemical_formula_sum 'Nd2 In4 Cu2 Ir16' _cell_volume 399.00360859 _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 0.00000000 0.00000000 0.00000000 1.0 Nd Nd1 1 0.50000000 0.50000000 0.00000000 1.0 In In2 1 0.12181645 0.62181645 0.00000000 1.0 In In3 1 0.87818355 0.37818355 0.00000000 1.0 In In4 1 0.62181645 0.87818355 0.00000000 1.0 In In5 1 0.37818355 0.12181645 0.00000000 1.0 Cu Cu6 1 0.50000000 0.00000000 0.50000000 1.0 Cu Cu7 1 0.00000000 0.50000000 0.50000000 1.0 Ir Ir8 1 0.20604643 0.06589274 0.50000000 1.0 Ir Ir9 1 0.79395357 0.93410726 0.50000000 1.0 Ir Ir10 1 0.06589274 0.79395357 0.50000000 1.0 Ir Ir11 1 0.70604643 0.43410726 0.50000000 1.0 Ir Ir12 1 0.93410726 0.20604643 0.50000000 1.0 Ir Ir13 1 0.29395357 0.56589274 0.50000000 1.0 Ir Ir14 1 0.56589274 0.70604643 0.50000000 1.0 Ir Ir15 1 0.43410726 0.29395357 0.50000000 1.0 Ir Ir16 1 0.67653891 0.17653891 0.23811624 1.0 Ir Ir17 1 0.32346109 0.82346109 0.76188376 1.0 Ir Ir18 1 0.32346109 0.82346109 0.23811624 1.0 Ir Ir19 1 0.17653891 0.32346109 0.23811624 1.0 Ir Ir20 1 0.17653891 0.32346109 0.76188376 1.0 Ir Ir21 1 0.67653891 0.17653891 0.76188376 1.0 Ir Ir22 1 0.82346109 0.67653891 0.76188376 1.0 Ir Ir23 1 0.82346109 0.67653891 0.23811624 1.0