# generated using pymatgen data_Tb3Al12CoIr3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.73943899 _cell_length_b 8.73943925 _cell_length_c 9.38749981 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999533 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tb3Al12CoIr3 _chemical_formula_sum 'Tb6 Al24 Co2 Ir6' _cell_volume 620.93725301 _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 0.19379921 0.38759742 0.25000000 1.0 Tb Tb1 1 0.80620079 0.61240258 0.75000000 1.0 Tb Tb2 1 0.61240258 0.80620079 0.25000000 1.0 Tb Tb3 1 0.38759742 0.19379921 0.75000000 1.0 Tb Tb4 1 0.19379921 0.80620079 0.25000000 1.0 Tb Tb5 1 0.80620079 0.19379921 0.75000000 1.0 Al Al6 1 0.33333300 0.66666700 0.02343854 1.0 Al Al7 1 0.66666700 0.33333300 0.97656146 1.0 Al Al8 1 0.66666700 0.33333300 0.52343854 1.0 Al Al9 1 0.33333300 0.66666700 0.47656146 1.0 Al Al10 1 0.16120799 0.32241499 0.57625252 1.0 Al Al11 1 0.83879201 0.67758501 0.42374748 1.0 Al Al12 1 0.67758501 0.83879201 0.57625252 1.0 Al Al13 1 0.83879201 0.67758501 0.07625252 1.0 Al Al14 1 0.32241499 0.16120799 0.42374748 1.0 Al Al15 1 0.16120799 0.32241499 0.92374748 1.0 Al Al16 1 0.16120799 0.83879201 0.57625252 1.0 Al Al17 1 0.32241499 0.16120799 0.07625252 1.0 Al Al18 1 0.83879201 0.16120799 0.42374748 1.0 Al Al19 1 0.67758501 0.83879201 0.92374748 1.0 Al Al20 1 0.83879201 0.16120799 0.07625252 1.0 Al Al21 1 0.16120799 0.83879201 0.92374748 1.0 Al Al22 1 0.56271102 0.12542204 0.25000000 1.0 Al Al23 1 0.43728898 0.87457796 0.75000000 1.0 Al Al24 1 0.87457796 0.43728898 0.25000000 1.0 Al Al25 1 0.12542204 0.56271102 0.75000000 1.0 Al Al26 1 0.56271102 0.43728898 0.25000000 1.0 Al Al27 1 0.43728898 0.56271102 0.75000000 1.0 Al Al28 1 0.00000000 0.00000000 0.25000000 1.0 Al Al29 1 0.00000000 0.00000000 0.75000000 1.0 Co Co30 1 0.00000000 0.00000000 0.00000000 1.0 Co Co31 1 0.00000000 0.00000000 0.50000000 1.0 Ir Ir32 1 0.50000000 0.00000000 0.00000000 1.0 Ir Ir33 1 0.00000000 0.50000000 0.00000000 1.0 Ir Ir34 1 0.50000000 0.00000000 0.50000000 1.0 Ir Ir35 1 0.50000000 0.50000000 0.00000000 1.0 Ir Ir36 1 0.00000000 0.50000000 0.50000000 1.0 Ir Ir37 1 0.50000000 0.50000000 0.50000000 1.0