# generated using pymatgen data_Nd4TeI6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.43203761 _cell_length_b 14.50877403 _cell_length_c 15.36422316 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nd4TeI6 _chemical_formula_sum 'Nd8 Te2 I12' _cell_volume 987.97228106 _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 0.11937680 0.34112736 1.0 Nd Nd1 1 0.50000000 0.88062320 0.65887264 1.0 Nd Nd2 1 0.50000000 0.61937680 0.15887264 1.0 Nd Nd3 1 0.50000000 0.38062320 0.84112736 1.0 Nd Nd4 1 0.00000000 0.11671954 0.57841082 1.0 Nd Nd5 1 0.00000000 0.88328046 0.42158918 1.0 Nd Nd6 1 0.00000000 0.61671954 0.92158918 1.0 Nd Nd7 1 0.00000000 0.38328046 0.07841082 1.0 Te Te8 1 0.50000000 0.00000000 0.50000000 1.0 Te Te9 1 0.50000000 0.50000000 0.00000000 1.0 I I10 1 0.50000000 0.24454323 0.16298766 1.0 I I11 1 0.50000000 0.75545677 0.83701234 1.0 I I12 1 0.50000000 0.74454323 0.33701234 1.0 I I13 1 0.50000000 0.25545677 0.66298766 1.0 I I14 1 0.00000000 0.25826340 0.41477186 1.0 I I15 1 0.00000000 0.74173660 0.58522814 1.0 I I16 1 0.00000000 0.75826340 0.08522814 1.0 I I17 1 0.00000000 0.24173660 0.91477186 1.0 I I18 1 0.00000000 0.99925112 0.24138720 1.0 I I19 1 0.00000000 0.00074888 0.75861280 1.0 I I20 1 0.00000000 0.49925112 0.25861280 1.0 I I21 1 0.00000000 0.50074888 0.74138720 1.0