# generated using pymatgen data_Y4AsI6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.22281229 _cell_length_b 13.89462294 _cell_length_c 14.67612490 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Y4AsI6 _chemical_formula_sum 'Y8 As2 I12' _cell_volume 861.11259626 _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 Y Y0 1 0.50000000 0.11682044 0.34798032 1.0 Y Y1 1 0.50000000 0.88317956 0.65201968 1.0 Y Y2 1 0.50000000 0.61682044 0.15201968 1.0 Y Y3 1 0.50000000 0.38317956 0.84798032 1.0 Y Y4 1 0.00000000 0.10966976 0.57498060 1.0 Y Y5 1 0.00000000 0.89033024 0.42501940 1.0 Y Y6 1 0.00000000 0.60966976 0.92501940 1.0 Y Y7 1 0.00000000 0.39033024 0.07498060 1.0 As As8 1 0.50000000 0.00000000 0.50000000 1.0 As As9 1 0.50000000 0.50000000 0.00000000 1.0 I I10 1 0.50000000 0.24819408 0.16509211 1.0 I I11 1 0.50000000 0.75180592 0.83490789 1.0 I I12 1 0.50000000 0.74819408 0.33490789 1.0 I I13 1 0.50000000 0.25180592 0.66509211 1.0 I I14 1 0.00000000 0.26048145 0.41719487 1.0 I I15 1 0.00000000 0.73951855 0.58280513 1.0 I I16 1 0.00000000 0.76048145 0.08280513 1.0 I I17 1 0.00000000 0.23951855 0.91719487 1.0 I I18 1 0.00000000 0.00165348 0.24029785 1.0 I I19 1 0.00000000 0.99834652 0.75970215 1.0 I I20 1 0.00000000 0.50165348 0.25970215 1.0 I I21 1 0.00000000 0.49834652 0.74029785 1.0