# generated using pymatgen data_Nd4SnI6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.45253676 _cell_length_b 14.60311737 _cell_length_c 15.48416636 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nd4SnI6 _chemical_formula_sum 'Nd8 Sn2 I12' _cell_volume 1006.79469382 _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 0.50000000 0.11888582 0.34074394 1.0 Nd Nd1 1 0.50000000 0.88111418 0.65925606 1.0 Nd Nd2 1 0.50000000 0.61888582 0.15925606 1.0 Nd Nd3 1 0.50000000 0.38111418 0.84074394 1.0 Nd Nd4 1 0.00000000 0.11916724 0.57937571 1.0 Nd Nd5 1 0.00000000 0.88083276 0.42062429 1.0 Nd Nd6 1 0.00000000 0.61916724 0.92062429 1.0 Nd Nd7 1 0.00000000 0.38083276 0.07937571 1.0 Sn Sn8 1 0.50000000 0.00000000 0.50000000 1.0 Sn Sn9 1 0.50000000 0.50000000 0.00000000 1.0 I I10 1 0.50000000 0.24400897 0.16336548 1.0 I I11 1 0.50000000 0.75599103 0.83663452 1.0 I I12 1 0.50000000 0.74400897 0.33663452 1.0 I I13 1 0.50000000 0.25599103 0.66336548 1.0 I I14 1 0.00000000 0.25718744 0.41305874 1.0 I I15 1 0.00000000 0.74281256 0.58694126 1.0 I I16 1 0.00000000 0.75718744 0.08694126 1.0 I I17 1 0.00000000 0.24281256 0.91305874 1.0 I I18 1 0.00000000 0.99978824 0.24234016 1.0 I I19 1 0.00000000 0.00021176 0.75765984 1.0 I I20 1 0.00000000 0.49978824 0.25765984 1.0 I I21 1 0.00000000 0.50021176 0.74234016 1.0