# generated using pymatgen data_Tb2Y2AsI6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.22317407 _cell_length_b 13.95470189 _cell_length_c 14.67196277 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tb2Y2AsI6 _chemical_formula_sum 'Tb4 Y4 As2 I12' _cell_volume 864.66476482 _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 Tb Tb0 1 0.00000000 0.10889787 0.57579952 1.0 Tb Tb1 1 0.00000000 0.89110213 0.42420048 1.0 Tb Tb2 1 0.00000000 0.60889787 0.92420048 1.0 Tb Tb3 1 0.00000000 0.39110213 0.07579952 1.0 Y Y4 1 0.50000000 0.11735650 0.34861360 1.0 Y Y5 1 0.50000000 0.88264350 0.65138640 1.0 Y Y6 1 0.50000000 0.61735650 0.15138640 1.0 Y Y7 1 0.50000000 0.38264350 0.84861360 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 0.25011557 0.16737512 1.0 I I11 1 0.50000000 0.74988443 0.83262488 1.0 I I12 1 0.50000000 0.75011557 0.33262488 1.0 I I13 1 0.50000000 0.24988443 0.66737512 1.0 I I14 1 0.00000000 0.26002682 0.41868048 1.0 I I15 1 0.00000000 0.73997318 0.58131952 1.0 I I16 1 0.00000000 0.76002682 0.08131952 1.0 I I17 1 0.00000000 0.23997318 0.91868048 1.0 I I18 1 0.00000000 0.00337740 0.24026142 1.0 I I19 1 0.00000000 0.99662260 0.75973858 1.0 I I20 1 0.00000000 0.50337740 0.25973858 1.0 I I21 1 0.00000000 0.49662260 0.74026142 1.0