# generated using pymatgen data_Nd(Sn2Ir)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.48622861 _cell_length_b 7.25845301 _cell_length_c 18.44753720 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nd(Sn2Ir)2 _chemical_formula_sum 'Nd4 Sn16 Ir8' _cell_volume 600.70862108 _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 0.25000000 0.00297167 0.85747225 1.0 Nd Nd1 1 0.75000000 0.99702833 0.14252775 1.0 Nd Nd2 1 0.75000000 0.50297167 0.64252775 1.0 Nd Nd3 1 0.25000000 0.49702833 0.35747225 1.0 Sn Sn4 1 0.25000000 0.27591486 0.19420640 1.0 Sn Sn5 1 0.75000000 0.97611594 0.56679381 1.0 Sn Sn6 1 0.75000000 0.30453583 0.81809596 1.0 Sn Sn7 1 0.25000000 0.13117204 0.03253752 1.0 Sn Sn8 1 0.75000000 0.19546417 0.31809596 1.0 Sn Sn9 1 0.25000000 0.47611594 0.93320619 1.0 Sn Sn10 1 0.75000000 0.86882796 0.96746248 1.0 Sn Sn11 1 0.25000000 0.36882796 0.53253752 1.0 Sn Sn12 1 0.25000000 0.69546417 0.18190404 1.0 Sn Sn13 1 0.75000000 0.52388406 0.06679381 1.0 Sn Sn14 1 0.75000000 0.72408514 0.80579360 1.0 Sn Sn15 1 0.25000000 0.02388406 0.43320619 1.0 Sn Sn16 1 0.75000000 0.77591486 0.30579360 1.0 Sn Sn17 1 0.75000000 0.63117204 0.46746248 1.0 Sn Sn18 1 0.25000000 0.22408514 0.69420640 1.0 Sn Sn19 1 0.25000000 0.80453583 0.68190404 1.0 Ir Ir20 1 0.25000000 0.51811581 0.78617013 1.0 Ir Ir21 1 0.25000000 0.74825332 0.03474561 1.0 Ir Ir22 1 0.75000000 0.24825332 0.46525439 1.0 Ir Ir23 1 0.25000000 0.98188419 0.28617013 1.0 Ir Ir24 1 0.25000000 0.75174668 0.53474561 1.0 Ir Ir25 1 0.75000000 0.25174668 0.96525439 1.0 Ir Ir26 1 0.75000000 0.01811581 0.71382987 1.0 Ir Ir27 1 0.75000000 0.48188419 0.21382987 1.0