# generated using pymatgen data_Tb2(Al3Ir)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.51116100 _cell_length_b 7.51116100 _cell_length_c 9.44660973 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.47419353 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tb2(Al3Ir)3 _chemical_formula_sum 'Tb4 Al18 Ir6' _cell_volume 463.97812392 _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 0.99487322 0.67143529 0.25000000 1.0 Tb Tb1 1 0.00512678 0.32856471 0.75000000 1.0 Tb Tb2 1 0.67143529 0.99487322 0.25000000 1.0 Tb Tb3 1 0.32856471 0.00512678 0.75000000 1.0 Al Al4 1 0.13025849 0.13025849 0.25000000 1.0 Al Al5 1 0.86974151 0.86974151 0.75000000 1.0 Al Al6 1 0.00189520 0.33528945 0.07334168 1.0 Al Al7 1 0.99810480 0.66471055 0.92665832 1.0 Al Al8 1 0.99810480 0.66471055 0.57334168 1.0 Al Al9 1 0.33528945 0.00189520 0.42665832 1.0 Al Al10 1 0.00189520 0.33528945 0.42665832 1.0 Al Al11 1 0.66471055 0.99810480 0.57334168 1.0 Al Al12 1 0.66471055 0.99810480 0.92665832 1.0 Al Al13 1 0.33528945 0.00189520 0.07334168 1.0 Al Al14 1 0.33393577 0.33393577 0.55000914 1.0 Al Al15 1 0.66606423 0.66606423 0.44999086 1.0 Al Al16 1 0.66606423 0.66606423 0.05000914 1.0 Al Al17 1 0.33393577 0.33393577 0.94999086 1.0 Al Al18 1 0.33940345 0.54758837 0.25000000 1.0 Al Al19 1 0.66059655 0.45241163 0.75000000 1.0 Al Al20 1 0.54758837 0.33940345 0.25000000 1.0 Al Al21 1 0.45241163 0.66059655 0.75000000 1.0 Ir Ir22 1 0.67196011 0.32803989 -0.00000000 1.0 Ir Ir23 1 0.32803989 0.67196011 -0.00000000 1.0 Ir Ir24 1 0.32803989 0.67196011 0.50000000 1.0 Ir Ir25 1 0.67196011 0.32803989 0.50000000 1.0 Ir Ir26 1 0.00000000 0.00000000 -0.00000000 1.0 Ir Ir27 1 0.00000000 0.00000000 0.50000000 1.0