# generated using pymatgen data_Nd4SbI6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.44900840 _cell_length_b 14.58921153 _cell_length_c 15.41305984 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nd4SbI6 _chemical_formula_sum 'Nd8 Sb2 I12' _cell_volume 1000.42356098 _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 0.11944088 0.34086331 1.0 Nd Nd1 1 0.50000000 0.88055912 0.65913669 1.0 Nd Nd2 1 0.50000000 0.61944088 0.15913669 1.0 Nd Nd3 1 0.50000000 0.38055912 0.84086331 1.0 Nd Nd4 1 0.00000000 0.11772165 0.57874336 1.0 Nd Nd5 1 0.00000000 0.88227835 0.42125664 1.0 Nd Nd6 1 0.00000000 0.61772165 0.92125664 1.0 Nd Nd7 1 0.00000000 0.38227835 0.07874336 1.0 Sb Sb8 1 0.50000000 0.00000000 0.50000000 1.0 Sb Sb9 1 0.50000000 0.50000000 0.00000000 1.0 I I10 1 0.50000000 0.24304258 0.16329880 1.0 I I11 1 0.50000000 0.75695742 0.83670120 1.0 I I12 1 0.50000000 0.74304258 0.33670120 1.0 I I13 1 0.50000000 0.25695742 0.66329880 1.0 I I14 1 0.00000000 0.25720793 0.41404262 1.0 I I15 1 0.00000000 0.74279207 0.58595738 1.0 I I16 1 0.00000000 0.75720793 0.08595738 1.0 I I17 1 0.00000000 0.24279207 0.91404262 1.0 I I18 1 0.00000000 0.99980597 0.24242033 1.0 I I19 1 0.00000000 0.00019403 0.75757967 1.0 I I20 1 0.00000000 0.49980597 0.25757967 1.0 I I21 1 0.00000000 0.50019403 0.74242033 1.0