# generated using pymatgen data_Nd2(NiIr)5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.01976921 _cell_length_b 5.24467055 _cell_length_c 8.86666001 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nd2(NiIr)5 _chemical_formula_sum 'Nd2 Ni5 Ir5' _cell_volume 186.93016473 _cell_formula_units_Z 1 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 0.50000000 0.00000000 1.0 Nd Nd1 1 0.00000000 0.00000000 0.50000000 1.0 Ni Ni2 1 0.00000000 0.50000000 0.34553535 1.0 Ni Ni3 1 0.00000000 0.00000000 0.83173443 1.0 Ni Ni4 1 0.00000000 0.00000000 0.16826557 1.0 Ni Ni5 1 0.00000000 0.50000000 0.65446465 1.0 Ni Ni6 1 0.50000000 0.50000000 0.50000000 1.0 Ir Ir7 1 0.50000000 0.00000000 0.00000000 1.0 Ir Ir8 1 0.50000000 0.74637516 0.25428470 1.0 Ir Ir9 1 0.50000000 0.25362484 0.74571530 1.0 Ir Ir10 1 0.50000000 0.25362484 0.25428470 1.0 Ir Ir11 1 0.50000000 0.74637516 0.74571530 1.0