# generated using pymatgen data_Nd7Sm(SiI6)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.35442158 _cell_length_b 14.39672286 _cell_length_c 15.18366970 _cell_angle_alpha 90.15296028 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nd7Sm(SiI6)2 _chemical_formula_sum 'Nd7 Sm1 Si2 I12' _cell_volume 951.85176152 _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 0.50000000 0.11594365 0.34639998 1.0 Nd Nd1 1 0.50000000 0.88519315 0.65398566 1.0 Nd Nd2 1 0.50000000 0.61510382 0.15335242 1.0 Nd Nd3 1 0.00000000 0.11371623 0.57680545 1.0 Nd Nd4 1 0.00000000 0.88759771 0.42402766 1.0 Nd Nd5 1 0.00000000 0.61213790 0.92368843 1.0 Nd Nd6 1 0.00000000 0.38718535 0.07555828 1.0 Sm Sm7 1 0.50000000 0.38507772 0.84691569 1.0 Si Si8 1 0.50000000 0.00078491 0.50032961 1.0 Si Si9 1 0.50000000 0.49927543 0.99906412 1.0 I I10 1 0.50000000 0.24557114 0.16339455 1.0 I I11 1 0.50000000 0.75218093 0.83438576 1.0 I I12 1 0.50000000 0.74509263 0.33613100 1.0 I I13 1 0.50000000 0.25515300 0.66630133 1.0 I I14 1 0.00000000 0.26011226 0.41583717 1.0 I I15 1 0.00000000 0.74115034 0.58466481 1.0 I I16 1 0.00000000 0.75915539 0.08454625 1.0 I I17 1 0.00000000 0.24284552 0.91292016 1.0 I I18 1 0.00000000 0.99904460 0.23991924 1.0 I I19 1 0.00000000 0.00138711 0.76101559 1.0 I I20 1 0.00000000 0.49879728 0.25993903 1.0 I I21 1 0.00000000 0.49749193 0.74081982 1.0