# generated using pymatgen data_Er4SiI6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.17617282 _cell_length_b 13.91054741 _cell_length_c 14.49771960 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Er4SiI6 _chemical_formula_sum 'Er8 Si2 I12' _cell_volume 842.21385012 _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 Er Er0 1 0.50000000 0.11863091 0.35111893 1.0 Er Er1 1 0.50000000 0.88136909 0.64888107 1.0 Er Er2 1 0.50000000 0.61863091 0.14888107 1.0 Er Er3 1 0.50000000 0.38136909 0.85111893 1.0 Er Er4 1 0.00000000 0.10572213 0.57788528 1.0 Er Er5 1 0.00000000 0.89427787 0.42211472 1.0 Er Er6 1 0.00000000 0.60572213 0.92211472 1.0 Er Er7 1 0.00000000 0.39427787 0.07788528 1.0 Si Si8 1 0.50000000 0.00000000 0.50000000 1.0 Si Si9 1 0.50000000 0.50000000 0.00000000 1.0 I I10 1 0.50000000 0.25740138 0.17216378 1.0 I I11 1 0.50000000 0.74259862 0.82783622 1.0 I I12 1 0.50000000 0.75740138 0.32783622 1.0 I I13 1 0.50000000 0.24259862 0.67216378 1.0 I I14 1 0.00000000 0.26011878 0.42324481 1.0 I I15 1 0.00000000 0.73988122 0.57675519 1.0 I I16 1 0.00000000 0.76011878 0.07675519 1.0 I I17 1 0.00000000 0.23988122 0.92324481 1.0 I I18 1 0.00000000 0.00888748 0.23817695 1.0 I I19 1 0.00000000 0.99111252 0.76182305 1.0 I I20 1 0.00000000 0.50888748 0.26182305 1.0 I I21 1 0.00000000 0.49111252 0.73817695 1.0