# generated using pymatgen data_Tb3Ir2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 14.97949299 _cell_length_b 14.97949299 _cell_length_c 14.97949299 _cell_angle_alpha 135.55218497 _cell_angle_beta 135.55218497 _cell_angle_gamma 64.67342930 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tb3Ir2 _chemical_formula_sum 'Tb42 Ir28' _cell_volume 1625.06896028 _cell_formula_units_Z 14 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 0.63236600 0.50310100 0.27927600 1.0 Tb Tb1 1 0.22382500 0.35308900 0.72072400 1.0 Tb Tb2 1 0.13236600 0.85308900 0.12926400 1.0 Tb Tb3 1 0.72382500 0.00310100 0.87073600 1.0 Tb Tb4 1 0.35308900 0.63236600 0.12926400 1.0 Tb Tb5 1 0.50310100 0.22382500 0.87073600 1.0 Tb Tb6 1 0.00310100 0.13236600 0.27927600 1.0 Tb Tb7 1 0.85308900 0.72382500 0.72072400 1.0 Tb Tb8 1 0.36763400 0.49689900 0.72072400 1.0 Tb Tb9 1 0.77617500 0.64691100 0.27927600 1.0 Tb Tb10 1 0.86763400 0.14691100 0.87073600 1.0 Tb Tb11 1 0.27617500 0.99689900 0.12926400 1.0 Tb Tb12 1 0.64691100 0.36763400 0.87073600 1.0 Tb Tb13 1 0.49689900 0.77617500 0.12926400 1.0 Tb Tb14 1 0.99689900 0.86763400 0.72072400 1.0 Tb Tb15 1 0.14691100 0.27617500 0.27927600 1.0 Tb Tb16 1 0.38586400 0.51702900 0.29051900 1.0 Tb Tb17 1 0.22651000 0.09534500 0.70948100 1.0 Tb Tb18 1 0.88586400 0.59534500 0.86883500 1.0 Tb Tb19 1 0.72651000 0.01702900 0.13116500 1.0 Tb Tb20 1 0.09534500 0.38586400 0.86883500 1.0 Tb Tb21 1 0.51702900 0.22651000 0.13116500 1.0 Tb Tb22 1 0.01702900 0.88586400 0.29051900 1.0 Tb Tb23 1 0.59534500 0.72651000 0.70948100 1.0 Tb Tb24 1 0.61413600 0.48297100 0.70948100 1.0 Tb Tb25 1 0.77349000 0.90465500 0.29051900 1.0 Tb Tb26 1 0.11413600 0.40465500 0.13116500 1.0 Tb Tb27 1 0.27349000 0.98297100 0.86883500 1.0 Tb Tb28 1 0.90465500 0.61413600 0.13116500 1.0 Tb Tb29 1 0.48297100 0.77349000 0.86883500 1.0 Tb Tb30 1 0.98297100 0.11413600 0.70948100 1.0 Tb Tb31 1 0.40465500 0.27349000 0.29051900 1.0 Tb Tb32 1 0.85085500 0.35085500 0.20171000 1.0 Tb Tb33 1 0.14914500 0.64914500 0.79829000 1.0 Tb Tb34 1 0.35085500 0.14914500 0.50000000 1.0 Tb Tb35 1 0.64914500 0.85085500 0.50000000 1.0 Tb Tb36 1 0.38738700 0.88738700 0.50000000 1.0 Tb Tb37 1 0.88738700 0.38738700 0.50000000 1.0 Tb Tb38 1 0.61261300 0.11261300 0.50000000 1.0 Tb Tb39 1 0.11261300 0.61261300 0.50000000 1.0 Tb Tb40 1 0.25000000 0.75000000 0.50000000 1.0 Tb Tb41 1 0.75000000 0.25000000 0.50000000 1.0 Ir Ir42 1 0.71499900 0.21499900 0.14189500 1.0 Ir Ir43 1 0.07310400 0.57310400 0.85810500 1.0 Ir Ir44 1 0.21499900 0.07310400 0.50000000 1.0 Ir Ir45 1 0.57310400 0.71499900 0.50000000 1.0 Ir Ir46 1 0.28500100 0.78500100 0.85810500 1.0 Ir Ir47 1 0.92689600 0.42689600 0.14189500 1.0 Ir Ir48 1 0.78500100 0.92689600 0.50000000 1.0 Ir Ir49 1 0.42689600 0.28500100 0.50000000 1.0 Ir Ir50 1 0.46487200 0.96487200 0.80679100 1.0 Ir Ir51 1 0.15808100 0.65808100 0.19320900 1.0 Ir Ir52 1 0.96487200 0.15808100 0.50000000 1.0 Ir Ir53 1 0.65808100 0.46487200 0.50000000 1.0 Ir Ir54 1 0.53512800 0.03512800 0.19320900 1.0 Ir Ir55 1 0.84191900 0.34191900 0.80679100 1.0 Ir Ir56 1 0.03512800 0.84191900 0.50000000 1.0 Ir Ir57 1 0.34191900 0.53512800 0.50000000 1.0 Ir Ir58 1 0.59788000 0.09788000 0.69576000 1.0 Ir Ir59 1 0.40212000 0.90212000 0.30424000 1.0 Ir Ir60 1 0.09788000 0.40212000 0.50000000 1.0 Ir Ir61 1 0.90212000 0.59788000 0.50000000 1.0 Ir Ir62 1 0.36600900 0.36600900 0.00000000 1.0 Ir Ir63 1 0.86600900 0.86600900 0.00000000 1.0 Ir Ir64 1 0.63399100 0.63399100 0.00000000 1.0 Ir Ir65 1 0.13399100 0.13399100 0.00000000 1.0 Ir Ir66 1 0.50000000 0.50000000 0.00000000 1.0 Ir Ir67 1 0.00000000 0.00000000 0.00000000 1.0 Ir Ir68 1 0.25000000 0.25000000 0.00000000 1.0 Ir Ir69 1 0.75000000 0.75000000 0.00000000 1.0